2-[[(1S)-1-[5-chloro-3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one

C24H18Cl2N6O2 — CID 154628094

IUPAC2-[[(1S)-1-[5-chloro-3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one
SMILESC[C@H](Nc1ncc2c(=O)cc[nH]c2n1)c1nc2cccc(Cl)c2c(=O)n1Cc1ccccc1Cl
InChIInChI=1S/C24H18Cl2N6O2/c1-13(29-24-28-11-15-19(33)9-10-27-21(15)31-24)22-30-18-8-4-7-17(26)20(18)23(34)32(22)12-14-5-2-3-6-16(14)25/h2-11,13H,12H2,1H3,(H2,27,28,29,31,33)/t13-/m0/s1
InChIKeyIPMXVCPHYJHAQK-ZDUSSCGKSA-N
MW493.35 g/mol
LogP4.56
Rot. Bonds5

About 2-[[(1S)-1-[5-chloro-3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one

2-[[(1S)-1-[5-chloro-3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one (PubChem CID 154628094) has the molecular formula C24H18Cl2N6O2 and a molecular weight of 493.35 g/mol. Its IUPAC name is 2-[[(1S)-1-[5-chloro-3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-[[(1S)-1-[5-chloro-3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one
PubChem CID154628094
Molecular FormulaC24H18Cl2N6O2
Molecular Weight493.35 g/mol
Exact Mass492.09
IUPAC Name2-[[(1S)-1-[5-chloro-3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one
SMILESC[C@H](Nc1ncc2c(=O)cc[nH]c2n1)c1nc2cccc(Cl)c2c(=O)n1Cc1ccccc1Cl
InChIInChI=1S/C24H18Cl2N6O2/c1-13(29-24-28-11-15-19(33)9-10-27-21(15)31-24)22-30-18-8-4-7-17(26)20(18)23(34)32(22)12-14-5-2-3-6-16(14)25/h2-11,13H,12H2,1H3,(H2,27,28,29,31,33)/t13-/m0/s1
InChIKeyIPMXVCPHYJHAQK-ZDUSSCGKSA-N
XLogP4.56
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.35
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[(1S)-1-[5-chloro-3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one with MolForge

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Related Compounds

2-(1-aminoethyl)-5-chloro-3-[(2-chlorophenyl)methyl]quinazolin-4-one
CID 155000155
N-[(1R)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 7366614
2-(1-aminoethyl)-5-chloro-3-(1H-1,2,4-triazol-5-ylmethyl)quinazolin-4-one
CID 118573848
2-[1-[(6-amino-5-chloropyrimidin-4-yl)amino]ethyl]-3-(3-aminopropyl)-5-chloroquinazolin-4-one
CID 118573832
5-chloro-2-[1-[(2-chloro-5-iodopyrimidin-4-yl)amino]ethyl]-3-phenylquinazolin-4-one
CID 118493955
2,4-diamino-6-[1-[5-chloro-4-oxo-3-[3-(pyrimidin-2-ylamino)propyl]quinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118573746
4-[[(1S)-1-[6-fluoro-4-oxo-3-(pyridin-2-ylmethyl)quinazolin-2-yl]ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one
CID 134427713
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 4754925
4-amino-6-[[(1S)-1-[3-(3-amino-2-methylpropyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 118573628
2,4-diamino-6-[[(1R)-1-[3-(3-aminopropyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 118573963
2,4-diamino-6-[1-[5-chloro-3-(3-cyanopropyl)-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118573804
2,5-dichloro-3-[2-(methylamino)propyl]quinazolin-4-one
CID 117263733

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-[5-chloro-3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one?
The IUPAC name of 2-[[(1S)-1-[5-chloro-3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one (CID 154628094) is 2-[[(1S)-1-[5-chloro-3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-[[(1S)-1-[5-chloro-3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one?
The canonical SMILES for 2-[[(1S)-1-[5-chloro-3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one is C[C@H](Nc1ncc2c(=O)cc[nH]c2n1)c1nc2cccc(Cl)c2c(=O)n1Cc1ccccc1Cl.
What is the InChIKey of 2-[[(1S)-1-[5-chloro-3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one?
The InChIKey is IPMXVCPHYJHAQK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H18Cl2N6O2/c1-13(29-24-28-11-15-19(33)9-10-27-21(15)31-24)22-30-18-8-4-7-17(26)20(18)23(34)32(22)12-14-5-2-3-6-16(14)25/h2-11,13H,12H2,1H3,(H2,27,28,29,31,33)/t13-/m0/s1.
What are the key properties of 2-[[(1S)-1-[5-chloro-3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one?
2-[[(1S)-1-[5-chloro-3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one has a molecular weight of 493.35 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-[5-chloro-3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 154628094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).