4-[4-(cyclopentylmethyl)piperazin-1-yl]-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;4-(4-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;[4-[2-(dimethylamino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-phenylmethanone

C84H124N18O7 — CID 157315956

IUPAC4-[4-(cyclopentylmethyl)piperazin-1-yl]-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;4-(4-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;[4-[2-(dimethylamino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-phenylmethanone
SMILESCOc1cc2c(N3CCN(C(=O)c4ccccc4)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1.COc1cc2c(N3CCN(C4CCCC4)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1.COc1cc2c(N3CCN(CC4CCCC4)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C29H38N6O3.C28H44N6O2.C27H42N6O2/c1-32(2)29-30-24-21-26(38-19-9-14-33-12-7-8-13-33)25(37-3)20-23(24)27(31-29)34-15-17-35(18-16-34)28(36)22-10-5-4-6-11-22;1-31(2)28-29-24-20-26(36-18-8-13-32-11-6-7-12-32)25(35-3)19-23(24)27(30-28)34-16-14-33(15-17-34)21-22-9-4-5-10-22;1-30(2)27-28-23-20-25(35-18-8-13-31-11-6-7-12-31)24(34-3)19-22(23)26(29-27)33-16-14-32(15-17-33)21-9-4-5-10-21/h4-6,10-11,20-21H,7-9,12-19H2,1-3H3;19-20,22H,4-18,21H2,1-3H3;19-21H,4-18H2,1-3H3
InChIKeyBDPCCSSCPOBLRE-UHFFFAOYSA-N
MW1498.03 g/mol
LogP11.05
Rot. Bonds28

About 4-[4-(cyclopentylmethyl)piperazin-1-yl]-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;4-(4-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;[4-[2-(dimethylamino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-phenylmethanone

4-[4-(cyclopentylmethyl)piperazin-1-yl]-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;4-(4-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;[4-[2-(dimethylamino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-phenylmethanone (PubChem CID 157315956) has the molecular formula C84H124N18O7 and a molecular weight of 1498.03 g/mol. Its IUPAC name is 4-[4-(cyclopentylmethyl)piperazin-1-yl]-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;4-(4-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;[4-[2-(dimethylamino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name4-[4-(cyclopentylmethyl)piperazin-1-yl]-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;4-(4-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;[4-[2-(dimethylamino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-phenylmethanone
PubChem CID157315956
Molecular FormulaC84H124N18O7
Molecular Weight1498.03 g/mol
Exact Mass1496.99
IUPAC Name4-[4-(cyclopentylmethyl)piperazin-1-yl]-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;4-(4-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;[4-[2-(dimethylamino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-phenylmethanone
SMILESCOc1cc2c(N3CCN(C(=O)c4ccccc4)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1.COc1cc2c(N3CCN(C4CCCC4)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1.COc1cc2c(N3CCN(CC4CCCC4)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C29H38N6O3.C28H44N6O2.C27H42N6O2/c1-32(2)29-30-24-21-26(38-19-9-14-33-12-7-8-13-33)25(37-3)20-23(24)27(31-29)34-15-17-35(18-16-34)28(36)22-10-5-4-6-11-22;1-31(2)28-29-24-20-26(36-18-8-13-32-11-6-7-12-32)25(35-3)19-23(24)27(30-28)34-16-14-33(15-17-34)21-22-9-4-5-10-22;1-30(2)27-28-23-20-25(35-18-8-13-31-11-6-7-12-31)24(34-3)19-22(23)26(29-27)33-16-14-32(15-17-33)21-9-4-5-10-21/h4-6,10-11,20-21H,7-9,12-19H2,1-3H3;19-20,22H,4-18,21H2,1-3H3;19-21H,4-18H2,1-3H3
InChIKeyBDPCCSSCPOBLRE-UHFFFAOYSA-N
XLogP11.05
TPSA188.67 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds28
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001498.03
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 4-[4-(cyclopentylmethyl)piperazin-1-yl]-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;4-(4-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;[4-[2-(dimethylamino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-phenylmethanone with MolForge

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

Launch Full Analysis

Related Compounds

(E)-1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one;hydrochloride
CID 13100443
[(4aR,8aS)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]-phenylmethanone
CID 44428851
2-(4-Benzoylpiperazin-1-yl)-4-amino-6,7-dimethoxyquinazoline
CID 10691966
[4-[[6,7-Dimethoxy-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-yl]amino]piperidin-1-yl]-phenylmethanone
CID 71738546
[4-[(6,7-Dimethoxy-2-piperidin-1-ylquinazolin-4-yl)amino]piperidin-1-yl]-phenylmethanone
CID 71738608
Cyclopentyl-[4-[2-(dimethylamino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]methanone
CID 130454401
[4-[2-(Dimethylamino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-phenylmethanone
CID 130454634
[4-(Aminomethyl)phenyl]-[4-[2-(dimethylamino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]methanone
CID 130472440
EphA2 agonist 2
CID 137380627
1-[4-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(4-phenylmethoxyphenyl)ethanone
CID 137399257
Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(3-(3-furanyl)-1-oxo-2-propenyl)-, hydrochloride
CID 6447064
[3-[[6-[2-[2-[6-[[3-[4-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonyl]phenyl]methylamino]hexylamino]ethyldisulfanyl]ethylamino]hexylamino]methyl]phenyl]-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]methanone
CID 10582125

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopentylmethyl)piperazin-1-yl]-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;4-(4-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;[4-[2-(dimethylamino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of 4-[4-(cyclopentylmethyl)piperazin-1-yl]-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;4-(4-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;[4-[2-(dimethylamino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-phenylmethanone (CID 157315956) is 4-[4-(cyclopentylmethyl)piperazin-1-yl]-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;4-(4-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;[4-[2-(dimethylamino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for 4-[4-(cyclopentylmethyl)piperazin-1-yl]-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;4-(4-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;[4-[2-(dimethylamino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for 4-[4-(cyclopentylmethyl)piperazin-1-yl]-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;4-(4-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;[4-[2-(dimethylamino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-phenylmethanone is COc1cc2c(N3CCN(C(=O)c4ccccc4)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1.COc1cc2c(N3CCN(C4CCCC4)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1.COc1cc2c(N3CCN(CC4CCCC4)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1.
What is the InChIKey of 4-[4-(cyclopentylmethyl)piperazin-1-yl]-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;4-(4-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;[4-[2-(dimethylamino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-phenylmethanone?
The InChIKey is BDPCCSSCPOBLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N6O3.C28H44N6O2.C27H42N6O2/c1-32(2)29-30-24-21-26(38-19-9-14-33-12-7-8-13-33)25(37-3)20-23(24)27(31-29)34-15-17-35(18-16-34)28(36)22-10-5-4-6-11-22;1-31(2)28-29-24-20-26(36-18-8-13-32-11-6-7-12-32)25(35-3)19-23(24)27(30-28)34-16-14-33(15-17-34)21-22-9-4-5-10-22;1-30(2)27-28-23-20-25(35-18-8-13-31-11-6-7-12-31)24(34-3)19-22(23)26(29-27)33-16-14-32(15-17-33)21-9-4-5-10-21/h4-6,10-11,20-21H,7-9,12-19H2,1-3H3;19-20,22H,4-18,21H2,1-3H3;19-21H,4-18H2,1-3H3.
What are the key properties of 4-[4-(cyclopentylmethyl)piperazin-1-yl]-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;4-(4-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;[4-[2-(dimethylamino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-phenylmethanone?
4-[4-(cyclopentylmethyl)piperazin-1-yl]-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;4-(4-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;[4-[2-(dimethylamino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-phenylmethanone has a molecular weight of 1498.03 g/mol, XLogP of 11.05, 28 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopentylmethyl)piperazin-1-yl]-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;4-(4-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;[4-[2-(dimethylamino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 157315956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).