2-cyclopropyl-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-N-(2-methoxyethyl)-4-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine;bis(6-methoxy-2-morpholin-4-yl-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine);6-methoxy-4-N-(piperazin-1-ylmethyl)-2-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine

C147H231N41O17S — CID 163689210

About 2-cyclopropyl-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-N-(2-methoxyethyl)-4-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine;bis(6-methoxy-2-morpholin-4-yl-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine);6-methoxy-4-N-(piperazin-1-ylmethyl)-2-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine

2-cyclopropyl-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-N-(2-methoxyethyl)-4-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine;bis(6-methoxy-2-morpholin-4-yl-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine);6-methoxy-4-N-(piperazin-1-ylmethyl)-2-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine (PubChem CID 163689210) has the molecular formula C147H231N41O17S and a molecular weight of 2876.80 g/mol. Its IUPAC name is 2-cyclopropyl-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-N-(2-methoxyethyl)-4-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine;bis(6-methoxy-2-morpholin-4-yl-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine);6-methoxy-4-N-(piperazin-1-ylmethyl)-2-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine.

Molecular Properties

• Compound Name: 2-cyclopropyl-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-N-(2-methoxyethyl)-4-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine;bis(6-methoxy-2-morpholin-4-yl-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine);6-methoxy-4-N-(piperazin-1-ylmethyl)-2-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine
• PubChem CID: 163689210
• Molecular Formula: C147H231N41O17S
• Molecular Weight: 2876.80 g/mol
• Exact Mass: 2874.82
• IUPAC Name: 2-cyclopropyl-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-N-(2-methoxyethyl)-4-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine;bis(6-methoxy-2-morpholin-4-yl-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine);6-methoxy-4-N-(piperazin-1-ylmethyl)-2-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine
• SMILES: COCCNc1nc(NCN2CCNCC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1.COc1cc2c(NCN3CCNCC3)nc(C3CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCN3CCNCC3)nc(N3CCOCC3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCN3CCNCC3)nc(N3CCOCC3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCN3CCNCC3)nc(N3CCS(=O)(=O)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCN3CCNCC3)nc(NC(C)C)nc2cc1OCCCN1CCCC1
• InChI: InChI=1S/C25H39N7O4S.2C25H39N7O3.C24H39N7O3.C24H39N7O2.C24H36N6O2/c1-35-22-17-20-21(18-23(22)36-14-4-9-30-7-2-3-8-30)28-25(32-12-15-37(33,34)16-13-32)29-24(20)27-19-31-10-5-26-6-11-31;2*1-33-22-17-20-21(18-23(22)35-14-4-9-30-7-2-3-8-30)28-25(32-12-15-34-16-13-32)29-24(20)27-19-31-10-5-26-6-11-31;1-32-15-8-26-24-28-20-17-22(34-14-5-11-30-9-3-4-10-30)21(33-2)16-19(20)23(29-24)27-18-31-12-6-25-7-13-31;1-18(2)27-24-28-20-16-22(33-14-6-11-30-9-4-5-10-30)21(32-3)15-19(20)23(29-24)26-17-31-12-7-25-8-13-31;1-31-21-15-19-20(16-22(21)32-14-4-11-29-9-2-3-10-29)27-23(18-5-6-18)28-24(19)26-17-30-12-7-25-8-13-30/h17-18,26H,2-16,19H2,1H3,(H,27,28,29);2*17-18,26H,2-16,19H2,1H3,(H,27,28,29);16-17,25H,3-15,18H2,1-2H3,(H2,26,27,28,29);15-16,18,25H,4-14,17H2,1-3H3,(H2,26,27,28,29);15-16,18,25H,2-14,17H2,1H3,(H,26,27,28)
• InChIKey: JRMQOAZHEFCNOV-UHFFFAOYSA-N
• XLogP: 11.33
• TPSA: 544.29 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 58
• Rotatable Bonds: 64
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2876.80
LogP ≤ 5	11.33
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	58

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-N-(2-methoxyethyl)-4-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine;bis(6-methoxy-2-morpholin-4-yl-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine);6-methoxy-4-N-(piperazin-1-ylmethyl)-2-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine?

The IUPAC name of 2-cyclopropyl-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-N-(2-methoxyethyl)-4-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine;bis(6-methoxy-2-morpholin-4-yl-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine);6-methoxy-4-N-(piperazin-1-ylmethyl)-2-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine (CID 163689210) is 2-cyclopropyl-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-N-(2-methoxyethyl)-4-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine;bis(6-methoxy-2-morpholin-4-yl-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine);6-methoxy-4-N-(piperazin-1-ylmethyl)-2-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine.

What is the SMILES notation for 2-cyclopropyl-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-N-(2-methoxyethyl)-4-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine;bis(6-methoxy-2-morpholin-4-yl-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine);6-methoxy-4-N-(piperazin-1-ylmethyl)-2-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine?

The canonical SMILES for 2-cyclopropyl-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-N-(2-methoxyethyl)-4-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine;bis(6-methoxy-2-morpholin-4-yl-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine);6-methoxy-4-N-(piperazin-1-ylmethyl)-2-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine is COCCNc1nc(NCN2CCNCC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1.COc1cc2c(NCN3CCNCC3)nc(C3CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCN3CCNCC3)nc(N3CCOCC3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCN3CCNCC3)nc(N3CCOCC3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCN3CCNCC3)nc(N3CCS(=O)(=O)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCN3CCNCC3)nc(NC(C)C)nc2cc1OCCCN1CCCC1.

What is the InChIKey of 2-cyclopropyl-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-N-(2-methoxyethyl)-4-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine;bis(6-methoxy-2-morpholin-4-yl-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine);6-methoxy-4-N-(piperazin-1-ylmethyl)-2-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine?

The InChIKey is JRMQOAZHEFCNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N7O4S.2C25H39N7O3.C24H39N7O3.C24H39N7O2.C24H36N6O2/c1-35-22-17-20-21(18-23(22)36-14-4-9-30-7-2-3-8-30)28-25(32-12-15-37(33,34)16-13-32)29-24(20)27-19-31-10-5-26-6-11-31;2*1-33-22-17-20-21(18-23(22)35-14-4-9-30-7-2-3-8-30)28-25(32-12-15-34-16-13-32)29-24(20)27-19-31-10-5-26-6-11-31;1-32-15-8-26-24-28-20-17-22(34-14-5-11-30-9-3-4-10-30)21(33-2)16-19(20)23(29-24)27-18-31-12-6-25-7-13-31;1-18(2)27-24-28-20-16-22(33-14-6-11-30-9-4-5-10-30)21(32-3)15-19(20)23(29-24)26-17-31-12-7-25-8-13-31;1-31-21-15-19-20(16-22(21)32-14-4-11-29-9-2-3-10-29)27-23(18-5-6-18)28-24(19)26-17-30-12-7-25-8-13-30/h17-18,26H,2-16,19H2,1H3,(H,27,28,29);2*17-18,26H,2-16,19H2,1H3,(H,27,28,29);16-17,25H,3-15,18H2,1-2H3,(H2,26,27,28,29);15-16,18,25H,4-14,17H2,1-3H3,(H2,26,27,28,29);15-16,18,25H,2-14,17H2,1H3,(H,26,27,28).

What are the key properties of 2-cyclopropyl-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-N-(2-methoxyethyl)-4-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine;bis(6-methoxy-2-morpholin-4-yl-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine);6-methoxy-4-N-(piperazin-1-ylmethyl)-2-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine?

2-cyclopropyl-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-N-(2-methoxyethyl)-4-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine;bis(6-methoxy-2-morpholin-4-yl-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine);6-methoxy-4-N-(piperazin-1-ylmethyl)-2-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine has a molecular weight of 2876.80 g/mol, XLogP of 11.33, 64 rotatable bonds, 14 hydrogen bond donors, and 58 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-N-(2-methoxyethyl)-4-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine;bis(6-methoxy-2-morpholin-4-yl-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine);6-methoxy-4-N-(piperazin-1-ylmethyl)-2-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine is sourced from PubChem (CID 163689210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).