bis(N-cyclohexyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine);2-imidazol-1-yl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine

C106H156N24O8 — CID 163504969

IUPACbis(N-cyclohexyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine);2-imidazol-1-yl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
SMILESCOc1cc2c(NC3CCCCC3)nc(N3CCCC3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCCCC3)nc(N3CCCC3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCN(C(C)C)CC3)nc(-n3cccn3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCN(C(C)C)CC3)nc(-n3ccnc3)nc2cc1OCCCN1CCCC1
InChIInChI=1S/2C27H39N7O2.2C26H39N5O2/c1-20(2)33-15-8-21(9-16-33)29-26-22-18-24(35-3)25(36-17-7-13-32-11-4-5-12-32)19-23(22)30-27(31-26)34-14-6-10-28-34;1-20(2)33-13-7-21(8-14-33)29-26-22-17-24(35-3)25(36-16-6-12-32-10-4-5-11-32)18-23(22)30-27(31-26)34-15-9-28-19-34;2*1-32-23-18-21-22(19-24(23)33-17-9-14-30-12-5-6-13-30)28-26(31-15-7-8-16-31)29-25(21)27-20-10-3-2-4-11-20/h6,10,14,18-21H,4-5,7-9,11-13,15-17H2,1-3H3,(H,29,30,31);9,15,17-21H,4-8,10-14,16H2,1-3H3,(H,29,30,31);2*18-20H,2-17H2,1H3,(H,27,28,29)
InChIKeyCXUUEGKRSMLLPZ-UHFFFAOYSA-N
MW1894.57 g/mol
LogP17.64
Rot. Bonds38

About bis(N-cyclohexyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine);2-imidazol-1-yl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine

bis(N-cyclohexyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine);2-imidazol-1-yl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine (PubChem CID 163504969) has the molecular formula C106H156N24O8 and a molecular weight of 1894.57 g/mol. Its IUPAC name is bis(N-cyclohexyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine);2-imidazol-1-yl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine.

Molecular Properties

Compound Namebis(N-cyclohexyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine);2-imidazol-1-yl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
PubChem CID163504969
Molecular FormulaC106H156N24O8
Molecular Weight1894.57 g/mol
Exact Mass1893.25
IUPAC Namebis(N-cyclohexyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine);2-imidazol-1-yl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
SMILESCOc1cc2c(NC3CCCCC3)nc(N3CCCC3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCCCC3)nc(N3CCCC3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCN(C(C)C)CC3)nc(-n3cccn3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCN(C(C)C)CC3)nc(-n3ccnc3)nc2cc1OCCCN1CCCC1
InChIInChI=1S/2C27H39N7O2.2C26H39N5O2/c1-20(2)33-15-8-21(9-16-33)29-26-22-18-24(35-3)25(36-17-7-13-32-11-4-5-12-32)19-23(22)30-27(31-26)34-14-6-10-28-34;1-20(2)33-13-7-21(8-14-33)29-26-22-17-24(35-3)25(36-16-6-12-32-10-4-5-11-32)18-23(22)30-27(31-26)34-15-9-28-19-34;2*1-32-23-18-21-22(19-24(23)33-17-9-14-30-12-5-6-13-30)28-26(31-15-7-8-16-31)29-25(21)27-20-10-3-2-4-11-20/h6,10,14,18-21H,4-5,7-9,11-13,15-17H2,1-3H3,(H,29,30,31);9,15,17-21H,4-8,10-14,16H2,1-3H3,(H,29,30,31);2*18-20H,2-17H2,1H3,(H,27,28,29)
InChIKeyCXUUEGKRSMLLPZ-UHFFFAOYSA-N
XLogP17.64
TPSA286.64 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds38
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001894.57
LogP ≤ 517.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze bis(N-cyclohexyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine);2-imidazol-1-yl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(N-cyclohexyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine);2-imidazol-1-yl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?
The IUPAC name of bis(N-cyclohexyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine);2-imidazol-1-yl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine (CID 163504969) is bis(N-cyclohexyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine);2-imidazol-1-yl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine.
What is the SMILES notation for bis(N-cyclohexyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine);2-imidazol-1-yl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?
The canonical SMILES for bis(N-cyclohexyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine);2-imidazol-1-yl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine is COc1cc2c(NC3CCCCC3)nc(N3CCCC3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCCCC3)nc(N3CCCC3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCN(C(C)C)CC3)nc(-n3cccn3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCN(C(C)C)CC3)nc(-n3ccnc3)nc2cc1OCCCN1CCCC1.
What is the InChIKey of bis(N-cyclohexyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine);2-imidazol-1-yl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?
The InChIKey is CXUUEGKRSMLLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H39N7O2.2C26H39N5O2/c1-20(2)33-15-8-21(9-16-33)29-26-22-18-24(35-3)25(36-17-7-13-32-11-4-5-12-32)19-23(22)30-27(31-26)34-14-6-10-28-34;1-20(2)33-13-7-21(8-14-33)29-26-22-17-24(35-3)25(36-16-6-12-32-10-4-5-11-32)18-23(22)30-27(31-26)34-15-9-28-19-34;2*1-32-23-18-21-22(19-24(23)33-17-9-14-30-12-5-6-13-30)28-26(31-15-7-8-16-31)29-25(21)27-20-10-3-2-4-11-20/h6,10,14,18-21H,4-5,7-9,11-13,15-17H2,1-3H3,(H,29,30,31);9,15,17-21H,4-8,10-14,16H2,1-3H3,(H,29,30,31);2*18-20H,2-17H2,1H3,(H,27,28,29).
What are the key properties of bis(N-cyclohexyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine);2-imidazol-1-yl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?
bis(N-cyclohexyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine);2-imidazol-1-yl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine has a molecular weight of 1894.57 g/mol, XLogP of 17.64, 38 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-cyclohexyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine);2-imidazol-1-yl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine is sourced from PubChem (CID 163504969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).