4-(2-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine

C27H42N6O2 — CID 175794827

IUPAC4-(2-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine
SMILESCOc1cc2c(N3CCNCC3C3CCCC3)nc(N(C)C)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C27H42N6O2/c1-31(2)27-29-22-18-25(35-16-8-14-32-12-6-7-13-32)24(34-3)17-21(22)26(30-27)33-15-11-28-19-23(33)20-9-4-5-10-20/h17-18,20,23,28H,4-16,19H2,1-3H3
InChIKeyIOHDQOMCPUMHSZ-UHFFFAOYSA-N
MW482.67 g/mol
LogP3.54
Rot. Bonds9

About 4-(2-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine

4-(2-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine (PubChem CID 175794827) has the molecular formula C27H42N6O2 and a molecular weight of 482.67 g/mol. Its IUPAC name is 4-(2-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine.

Molecular Properties

Compound Name4-(2-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine
PubChem CID175794827
Molecular FormulaC27H42N6O2
Molecular Weight482.67 g/mol
Exact Mass482.34
IUPAC Name4-(2-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine
SMILESCOc1cc2c(N3CCNCC3C3CCCC3)nc(N(C)C)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C27H42N6O2/c1-31(2)27-29-22-18-25(35-16-8-14-32-12-6-7-13-32)24(34-3)17-21(22)26(30-27)33-15-11-28-19-23(33)20-9-4-5-10-20/h17-18,20,23,28H,4-16,19H2,1-3H3
InChIKeyIOHDQOMCPUMHSZ-UHFFFAOYSA-N
XLogP3.54
TPSA65.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.67
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-(2-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine 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

1-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol
CID 163722459
6-methoxy-2-N,2-N-dimethyl-4-N-(oxan-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine
CID 164704339
6-methoxy-4-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine
CID 177382773
9-methoxy-2,5-dimethyl-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine
CID 135155398
1-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol
CID 163609825
(1S,3S)-8-methoxy-1,3-dimethyl-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine
CID 135185166
[4-[2-(dimethylamino)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
CID 146610097
9-chloro-2-methoxy-7-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridine
CID 130345739
N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxy-2-piperazin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 165146367
N-cyclobutyl-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine
CID 175854650
4-(4-fluorocyclohexyl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinoline
CID 135185179
6-methoxy-2-morpholin-2-yl-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 175431027

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine?
The IUPAC name of 4-(2-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine (CID 175794827) is 4-(2-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine.
What is the SMILES notation for 4-(2-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine?
The canonical SMILES for 4-(2-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine is COc1cc2c(N3CCNCC3C3CCCC3)nc(N(C)C)nc2cc1OCCCN1CCCC1.
What is the InChIKey of 4-(2-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine?
The InChIKey is IOHDQOMCPUMHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N6O2/c1-31(2)27-29-22-18-25(35-16-8-14-32-12-6-7-13-32)24(34-3)17-21(22)26(30-27)33-15-11-28-19-23(33)20-9-4-5-10-20/h17-18,20,23,28H,4-16,19H2,1-3H3.
What are the key properties of 4-(2-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine?
4-(2-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine has a molecular weight of 482.67 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine is sourced from PubChem (CID 175794827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).