5-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1-methylpyridin-2-one

C24H21ClN4O2 — CID 135361130

IUPAC5-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1-methylpyridin-2-one
SMILESCn1cc(-c2ccc3nc(Cl)nc(N4CCOC[C@@H]4c4ccccc4)c3c2)ccc1=O
InChIInChI=1S/C24H21ClN4O2/c1-28-14-18(8-10-22(28)30)17-7-9-20-19(13-17)23(27-24(25)26-20)29-11-12-31-15-21(29)16-5-3-2-4-6-16/h2-10,13-14,21H,11-12,15H2,1H3/t21-/m1/s1
InChIKeyVBBALTMISDJCNW-OAQYLSRUSA-N
MW432.91 g/mol
LogP4.23
Rot. Bonds3

About 5-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1-methylpyridin-2-one

5-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1-methylpyridin-2-one (PubChem CID 135361130) has the molecular formula C24H21ClN4O2 and a molecular weight of 432.91 g/mol. Its IUPAC name is 5-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1-methylpyridin-2-one
PubChem CID135361130
Molecular FormulaC24H21ClN4O2
Molecular Weight432.91 g/mol
Exact Mass432.14
IUPAC Name5-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1-methylpyridin-2-one
SMILESCn1cc(-c2ccc3nc(Cl)nc(N4CCOC[C@@H]4c4ccccc4)c3c2)ccc1=O
InChIInChI=1S/C24H21ClN4O2/c1-28-14-18(8-10-22(28)30)17-7-9-20-19(13-17)23(27-24(25)26-20)29-11-12-31-15-21(29)16-5-3-2-4-6-16/h2-10,13-14,21H,11-12,15H2,1H3/t21-/m1/s1
InChIKeyVBBALTMISDJCNW-OAQYLSRUSA-N
XLogP4.23
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1-methylpyridin-2-one with MolForge

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Related Compounds

4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine
CID 129165840
5-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1-methylpyridin-2-one
CID 162645225
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylazetidin-3-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazoline-2-carboxamide
CID 129166244
4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-3-phenylmorpholine
CID 129165873
5-[2-[(E)-1-amino-3-(2,2-dimethylpropylimino)prop-1-en-2-yl]-4-[3-(4-fluorophenyl)morpholin-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one
CID 155714985
6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-phenylmorpholin-4-yl)-N-(thiazetidin-3-yl)quinazoline-2-carboxamide
CID 175355937
ethane;5-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[(1E)-1-[(2-hydroxy-2-methylpropyl)-methylamino]buta-1,3-dien-2-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one
CID 155714997
5-chloro-1-[2-chloro-7-[(4-methylcyclohexyl)methyl]-8-(3-phenylmorpholin-4-yl)purin-6-yl]pyridin-2-one
CID 118558857
tert-butyl (3S)-4-[2-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]-3-phenylpiperazine-1-carboxylate
CID 140931630
(3R)-3,4-diphenylmorpholine
CID 22860790
1-[4-[4-(3-cyclopropylmorpholin-4-yl)-6-(1,5-dimethyl-6-methylidene-3-pyridinyl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[6-(1,5-dimethyl-6-methylidene-3-pyridinyl)-4-[3-(4-fluorophenyl)morpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[6-(1,5-dimethyl-6-methylidene-3-pyridinyl)-4-(3-phenylmorpholin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 167641523
5-benzyl-2-chloro-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-6-one
CID 86670114

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1-methylpyridin-2-one (CID 135361130) is 5-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1-methylpyridin-2-one is Cn1cc(-c2ccc3nc(Cl)nc(N4CCOC[C@@H]4c4ccccc4)c3c2)ccc1=O.
What is the InChIKey of 5-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1-methylpyridin-2-one?
The InChIKey is VBBALTMISDJCNW-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H21ClN4O2/c1-28-14-18(8-10-22(28)30)17-7-9-20-19(13-17)23(27-24(25)26-20)29-11-12-31-15-21(29)16-5-3-2-4-6-16/h2-10,13-14,21H,11-12,15H2,1H3/t21-/m1/s1.
What are the key properties of 5-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1-methylpyridin-2-one?
5-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1-methylpyridin-2-one has a molecular weight of 432.91 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 135361130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).