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

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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).