2-imidazol-1-yl-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine

C24H27N7O2 — CID 163446240

IUPAC2-imidazol-1-yl-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccncc3)nc(-n3ccnc3)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C24H27N7O2/c1-32-21-15-19-20(16-22(21)33-14-4-12-30-10-2-3-11-30)28-24(31-13-9-26-17-31)29-23(19)27-18-5-7-25-8-6-18/h5-9,13,15-17H,2-4,10-12,14H2,1H3,(H,25,27,28,29)
InChIKeyBCTPHUVLOYTEMZ-UHFFFAOYSA-N
MW445.53 g/mol
LogP3.83
Rot. Bonds9

About 2-imidazol-1-yl-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine

2-imidazol-1-yl-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine (PubChem CID 163446240) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 2-imidazol-1-yl-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine.

Molecular Properties

Compound Name2-imidazol-1-yl-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
PubChem CID163446240
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name2-imidazol-1-yl-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccncc3)nc(-n3ccnc3)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C24H27N7O2/c1-32-21-15-19-20(16-22(21)33-14-4-12-30-10-2-3-11-30)28-24(31-13-9-26-17-31)29-23(19)27-18-5-7-25-8-6-18/h5-9,13,15-17H,2-4,10-12,14H2,1H3,(H,25,27,28,29)
InChIKeyBCTPHUVLOYTEMZ-UHFFFAOYSA-N
XLogP3.83
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]-1,2,4-thiadiazol-3-amine
CID 165146481
6-methoxy-2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 165146448
2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(2H-tetrazol-5-yl)quinazolin-4-amine
CID 165146435
2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(2H-triazol-4-yl)quinazolin-4-amine
CID 165146472
2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(4-methyl-1H-pyrazol-5-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 165146439
2-imidazol-1-yl-9-methoxy-8-(2-pyrrolidin-1-ylethoxy)benzo[c][2,7]naphthyridine
CID 91196780
2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]acetonitrile
CID 163826836
6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 165146470
N-(3-chloro-4-phosphanylphenyl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 129263058
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 19077516
2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 165146430
6-methoxy-N-[4-(C-methyl-N-phenylmethoxycarbonimidoyl)phenyl]-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
CID 85136523

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?
The IUPAC name of 2-imidazol-1-yl-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine (CID 163446240) is 2-imidazol-1-yl-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine.
What is the SMILES notation for 2-imidazol-1-yl-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?
The canonical SMILES for 2-imidazol-1-yl-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine is COc1cc2c(Nc3ccncc3)nc(-n3ccnc3)nc2cc1OCCCN1CCCC1.
What is the InChIKey of 2-imidazol-1-yl-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?
The InChIKey is BCTPHUVLOYTEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-32-21-15-19-20(16-22(21)33-14-4-12-30-10-2-3-11-30)28-24(31-13-9-26-17-31)29-23(19)27-18-5-7-25-8-6-18/h5-9,13,15-17H,2-4,10-12,14H2,1H3,(H,25,27,28,29).
What are the key properties of 2-imidazol-1-yl-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?
2-imidazol-1-yl-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine has a molecular weight of 445.53 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine is sourced from PubChem (CID 163446240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).