N-cyclopentyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-methyl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;1-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]ethanone

C73H96N16O4 — CID 163887569

IUPACN-cyclopentyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-methyl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;1-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]ethanone
SMILESCNc1nc(N2CCCC2)nc2cc(C#CCN3CCCC3)c(OC)cc12.COc1cc2c(NC3CCCC3)nc(N3CCCC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NC3CCN(C(C)=O)CC3)nc(N3CCCC3)nc2cc1C#CCN1CCCC1
InChIInChI=1S/C27H36N6O2.C25H33N5O.C21H27N5O/c1-20(34)32-16-9-22(10-17-32)28-26-23-19-25(35-2)21(8-7-13-31-11-3-4-12-31)18-24(23)29-27(30-26)33-14-5-6-15-33;1-31-23-18-21-22(17-19(23)9-8-14-29-12-4-5-13-29)27-25(30-15-6-7-16-30)28-24(21)26-20-10-2-3-11-20;1-22-20-17-15-19(27-2)16(8-7-11-25-9-3-4-10-25)14-18(17)23-21(24-20)26-12-5-6-13-26/h18-19,22H,3-6,9-17H2,1-2H3,(H,28,29,30);17-18,20H,2-7,10-16H2,1H3,(H,26,27,28);14-15H,3-6,9-13H2,1-2H3,(H,22,23,24)
InChIKeyPYSVDBBHJUENPT-UHFFFAOYSA-N
MW1261.68 g/mol
LogP9.88
Rot. Bonds14

About N-cyclopentyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-methyl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;1-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]ethanone

N-cyclopentyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-methyl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;1-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]ethanone (PubChem CID 163887569) has the molecular formula C73H96N16O4 and a molecular weight of 1261.68 g/mol. Its IUPAC name is N-cyclopentyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-methyl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;1-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound NameN-cyclopentyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-methyl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;1-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]ethanone
PubChem CID163887569
Molecular FormulaC73H96N16O4
Molecular Weight1261.68 g/mol
Exact Mass1260.78
IUPAC NameN-cyclopentyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-methyl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;1-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]ethanone
SMILESCNc1nc(N2CCCC2)nc2cc(C#CCN3CCCC3)c(OC)cc12.COc1cc2c(NC3CCCC3)nc(N3CCCC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NC3CCN(C(C)=O)CC3)nc(N3CCCC3)nc2cc1C#CCN1CCCC1
InChIInChI=1S/C27H36N6O2.C25H33N5O.C21H27N5O/c1-20(34)32-16-9-22(10-17-32)28-26-23-19-25(35-2)21(8-7-13-31-11-3-4-12-31)18-24(23)29-27(30-26)33-14-5-6-15-33;1-31-23-18-21-22(17-19(23)9-8-14-29-12-4-5-13-29)27-25(30-15-6-7-16-30)28-24(21)26-20-10-2-3-11-20;1-22-20-17-15-19(27-2)16(8-7-11-25-9-3-4-10-25)14-18(17)23-21(24-20)26-12-5-6-13-26/h18-19,22H,3-6,9-17H2,1-2H3,(H,28,29,30);17-18,20H,2-7,10-16H2,1H3,(H,26,27,28);14-15H,3-6,9-13H2,1-2H3,(H,22,23,24)
InChIKeyPYSVDBBHJUENPT-UHFFFAOYSA-N
XLogP9.88
TPSA180.87 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001261.68
LogP ≤ 59.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze N-cyclopentyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-methyl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;1-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

1-[3-[6-Methoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-[(1-methylpiperidin-4-yl)amino]quinazolin-7-yl]prop-2-ynyl]pyrrolidin-2-one
CID 155547438
1-[3-[2-Cyclohexyl-6-methoxy-4-[(1-propan-2-ylpiperidin-4-yl)amino]quinazolin-7-yl]prop-2-ynyl]pyrrolidin-2-one
CID 155556005
US20230365530, Example 60
CID 162761670
US20230365530, Example 77
CID 162761713
US20230365530, Example 57
CID 162761733
US20230365530, Example 84
CID 162761757
US20230365530, Example 72
CID 162761767
US20230365530, Example 78
CID 162761826
US20230365530, Example 51
CID 162761642
US20230365530, Example 73
CID 162761645
US20230365530, Example 67
CID 162761647
US20230365530, Example 38
CID 162761654

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-methyl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;1-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of N-cyclopentyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-methyl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;1-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]ethanone (CID 163887569) is N-cyclopentyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-methyl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;1-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for N-cyclopentyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-methyl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;1-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for N-cyclopentyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-methyl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;1-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]ethanone is CNc1nc(N2CCCC2)nc2cc(C#CCN3CCCC3)c(OC)cc12.COc1cc2c(NC3CCCC3)nc(N3CCCC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NC3CCN(C(C)=O)CC3)nc(N3CCCC3)nc2cc1C#CCN1CCCC1.
What is the InChIKey of N-cyclopentyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-methyl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;1-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is PYSVDBBHJUENPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O2.C25H33N5O.C21H27N5O/c1-20(34)32-16-9-22(10-17-32)28-26-23-19-25(35-2)21(8-7-13-31-11-3-4-12-31)18-24(23)29-27(30-26)33-14-5-6-15-33;1-31-23-18-21-22(17-19(23)9-8-14-29-12-4-5-13-29)27-25(30-15-6-7-16-30)28-24(21)26-20-10-2-3-11-20;1-22-20-17-15-19(27-2)16(8-7-11-25-9-3-4-10-25)14-18(17)23-21(24-20)26-12-5-6-13-26/h18-19,22H,3-6,9-17H2,1-2H3,(H,28,29,30);17-18,20H,2-7,10-16H2,1H3,(H,26,27,28);14-15H,3-6,9-13H2,1-2H3,(H,22,23,24).
What are the key properties of N-cyclopentyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-methyl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;1-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]ethanone?
N-cyclopentyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-methyl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;1-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 1261.68 g/mol, XLogP of 9.88, 14 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-methyl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;1-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 163887569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).