7-(morpholine-4-carbonyl)-3-(2-phenylethyl)-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one

C27H26N4O3S — CID 23798581

IUPAC7-(morpholine-4-carbonyl)-3-(2-phenylethyl)-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one
SMILESO=C(c1ccc2c(=O)n(CCc3ccccc3)c(SCc3ccccn3)nc2c1)N1CCOCC1
InChIInChI=1S/C27H26N4O3S/c32-25(30-14-16-34-17-15-30)21-9-10-23-24(18-21)29-27(35-19-22-8-4-5-12-28-22)31(26(23)33)13-11-20-6-2-1-3-7-20/h1-10,12,18H,11,13-17,19H2
InChIKeyCVCSRGRYWIFQLI-UHFFFAOYSA-N
MW486.60 g/mol
LogP3.80
Rot. Bonds7

About 7-(morpholine-4-carbonyl)-3-(2-phenylethyl)-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one

7-(morpholine-4-carbonyl)-3-(2-phenylethyl)-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one (PubChem CID 23798581) has the molecular formula C27H26N4O3S and a molecular weight of 486.60 g/mol. Its IUPAC name is 7-(morpholine-4-carbonyl)-3-(2-phenylethyl)-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one.

Molecular Properties

Compound Name7-(morpholine-4-carbonyl)-3-(2-phenylethyl)-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one
PubChem CID23798581
Molecular FormulaC27H26N4O3S
Molecular Weight486.60 g/mol
Exact Mass486.17
IUPAC Name7-(morpholine-4-carbonyl)-3-(2-phenylethyl)-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one
SMILESO=C(c1ccc2c(=O)n(CCc3ccccc3)c(SCc3ccccn3)nc2c1)N1CCOCC1
InChIInChI=1S/C27H26N4O3S/c32-25(30-14-16-34-17-15-30)21-9-10-23-24(18-21)29-27(35-19-22-8-4-5-12-28-22)31(26(23)33)13-11-20-6-2-1-3-7-20/h1-10,12,18H,11,13-17,19H2
InChIKeyCVCSRGRYWIFQLI-UHFFFAOYSA-N
XLogP3.80
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-(morpholine-4-carbonyl)-3-(2-phenylethyl)-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one with MolForge

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Related Compounds

methyl 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-oxo-3-(2-phenylethyl)quinazoline-7-carboxylate
CID 55312351
2-[4-oxo-3-(2-phenylethyl)-7-(piperidine-1-carbonyl)quinazolin-2-yl]sulfanylacetonitrile
CID 15997017
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(2-phenylethyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one
CID 22333569
2-[(4-chlorophenyl)methylsulfanyl]-7-(morpholine-4-carbonyl)-3-prop-2-enylquinazolin-4-one
CID 3655287
2-benzylsulfanyl-3-(3-methoxyphenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one
CID 46362524
7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(2-phenylethyl)quinazolin-4-one
CID 22333573
3-(3-phenylpropyl)-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one
CID 32974559
2-[(3-chlorophenyl)methylsulfanyl]-3-pentyl-7-(4-phenylpiperazine-1-carbonyl)quinazolin-4-one
CID 46503132
methyl 4-oxo-2-(2-oxopropylsulfanyl)-3-(2-phenylethyl)quinazoline-7-carboxylate
CID 7469138
3-[4-(morpholine-4-carbonyl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one
CID 3479065
N-benzyl-4-oxo-2-phenacylsulfanyl-3-(2-phenylethyl)quinazoline-7-carboxamide
CID 22333578
7-chloro-3-(oxolan-2-ylmethyl)-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 17469811

Frequently Asked Questions

What is the IUPAC name of 7-(morpholine-4-carbonyl)-3-(2-phenylethyl)-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one?
The IUPAC name of 7-(morpholine-4-carbonyl)-3-(2-phenylethyl)-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one (CID 23798581) is 7-(morpholine-4-carbonyl)-3-(2-phenylethyl)-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one.
What is the SMILES notation for 7-(morpholine-4-carbonyl)-3-(2-phenylethyl)-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one?
The canonical SMILES for 7-(morpholine-4-carbonyl)-3-(2-phenylethyl)-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one is O=C(c1ccc2c(=O)n(CCc3ccccc3)c(SCc3ccccn3)nc2c1)N1CCOCC1.
What is the InChIKey of 7-(morpholine-4-carbonyl)-3-(2-phenylethyl)-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one?
The InChIKey is CVCSRGRYWIFQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3S/c32-25(30-14-16-34-17-15-30)21-9-10-23-24(18-21)29-27(35-19-22-8-4-5-12-28-22)31(26(23)33)13-11-20-6-2-1-3-7-20/h1-10,12,18H,11,13-17,19H2.
What are the key properties of 7-(morpholine-4-carbonyl)-3-(2-phenylethyl)-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one?
7-(morpholine-4-carbonyl)-3-(2-phenylethyl)-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one has a molecular weight of 486.60 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(morpholine-4-carbonyl)-3-(2-phenylethyl)-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one is sourced from PubChem (CID 23798581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).