2-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethyl]-5-chloro-3-phenylquinazolin-4-one

C23H18ClN7O — CID 71226905

IUPAC2-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethyl]-5-chloro-3-phenylquinazolin-4-one
SMILESNc1nc(NCCc2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)c2ncccc2n1
InChIInChI=1S/C23H18ClN7O/c24-15-8-4-9-16-19(15)22(32)31(14-6-2-1-3-7-14)18(28-16)11-13-27-21-20-17(10-5-12-26-20)29-23(25)30-21/h1-10,12H,11,13H2,(H3,25,27,29,30)
InChIKeyFGFGMQSEHYNGNH-UHFFFAOYSA-N
MW443.90 g/mol
LogP3.61
Rot. Bonds5

About 2-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethyl]-5-chloro-3-phenylquinazolin-4-one

2-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethyl]-5-chloro-3-phenylquinazolin-4-one (PubChem CID 71226905) has the molecular formula C23H18ClN7O and a molecular weight of 443.90 g/mol. Its IUPAC name is 2-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethyl]-5-chloro-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethyl]-5-chloro-3-phenylquinazolin-4-one
PubChem CID71226905
Molecular FormulaC23H18ClN7O
Molecular Weight443.90 g/mol
Exact Mass443.13
IUPAC Name2-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethyl]-5-chloro-3-phenylquinazolin-4-one
SMILESNc1nc(NCCc2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)c2ncccc2n1
InChIInChI=1S/C23H18ClN7O/c24-15-8-4-9-16-19(15)22(32)31(14-6-2-1-3-7-14)18(28-16)11-13-27-21-20-17(10-5-12-26-20)29-23(25)30-21/h1-10,12H,11,13H2,(H3,25,27,29,30)
InChIKeyFGFGMQSEHYNGNH-UHFFFAOYSA-N
XLogP3.61
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.90
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethyl]-5-chloro-3-phenylquinazolin-4-one with MolForge

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Related Compounds

Gs-9901
CID 86763204
2,4-Diamino-6-{[(1s)-1-(5-Chloro-4-Oxo-3-Phenyl-3,4-Dihydroquinazolin-2-Yl)ethyl]amino}pyrimidine-5-Carbonitrile
CID 76286865
2,4-Bis(Azanyl)-6-[[(1~{s})-1-[5-Chloranyl-3-(5-Fluoranyl-4-Methyl-Pyridin-3-Yl)-4-Oxidanylidene-Quinazolin-2-Yl]ethyl]amino]pyrimidine-5-Carbonitrile
CID 86762886
6-(2,6-Dichlorophenyl)-8-methyl-2-(pyridin-3-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327887
N-[3-chloro-2-(methylcarbamoyl)phenyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548184
8-[(Trans-4-Aminocyclohexyl)methyl]-6-[2-Chloro-4-(6-Methylpyrazin-2-Yl)phenyl]-2-(Ethylamino)pyrido[2,3-D]pyrimidin-7(8h)-One
CID 90466181
N-(2-aminoethyl)-5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxamide
CID 57877024
N-[1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-piperidinyl]benzamide
CID 71455551
5-chloro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 71655831
4-amino-6-[[(1S)-1-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 71657825
5-chloro-2-[(1S)-1-[(2,6-diamino-5-chloropyrimidin-4-yl)amino]ethyl]-3-phenylquinazolin-4-one
CID 76285661
2-[(1S)-1-[[6-amino-5-(2-pyrazin-2-ylethynyl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-phenylquinazolin-4-one
CID 76286675

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethyl]-5-chloro-3-phenylquinazolin-4-one?
The IUPAC name of 2-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethyl]-5-chloro-3-phenylquinazolin-4-one (CID 71226905) is 2-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethyl]-5-chloro-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethyl]-5-chloro-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethyl]-5-chloro-3-phenylquinazolin-4-one is Nc1nc(NCCc2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)c2ncccc2n1.
What is the InChIKey of 2-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethyl]-5-chloro-3-phenylquinazolin-4-one?
The InChIKey is FGFGMQSEHYNGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN7O/c24-15-8-4-9-16-19(15)22(32)31(14-6-2-1-3-7-14)18(28-16)11-13-27-21-20-17(10-5-12-26-20)29-23(25)30-21/h1-10,12H,11,13H2,(H3,25,27,29,30).
What are the key properties of 2-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethyl]-5-chloro-3-phenylquinazolin-4-one?
2-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethyl]-5-chloro-3-phenylquinazolin-4-one has a molecular weight of 443.90 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethyl]-5-chloro-3-phenylquinazolin-4-one is sourced from PubChem (CID 71226905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).