7-chloro-2-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one

C23H24ClN3O3S — CID 40811720

IUPAC7-chloro-2-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one
SMILESCCCn1c(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C23H24ClN3O3S/c1-2-10-27-21(28)18-9-8-17(24)15-19(18)25-23(27)31-20(16-6-4-3-5-7-16)22(29)26-11-13-30-14-12-26/h3-9,15,20H,2,10-14H2,1H3/t20-/m1/s1
InChIKeyUCDICKKUZAILOP-HXUWFJFHSA-N
MW457.98 g/mol
LogP4.15
Rot. Bonds6

About 7-chloro-2-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one

7-chloro-2-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one (PubChem CID 40811720) has the molecular formula C23H24ClN3O3S and a molecular weight of 457.98 g/mol. Its IUPAC name is 7-chloro-2-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one
PubChem CID40811720
Molecular FormulaC23H24ClN3O3S
Molecular Weight457.98 g/mol
Exact Mass457.12
IUPAC Name7-chloro-2-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one
SMILESCCCn1c(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C23H24ClN3O3S/c1-2-10-27-21(28)18-9-8-17(24)15-19(18)25-23(27)31-20(16-6-4-3-5-7-16)22(29)26-11-13-30-14-12-26/h3-9,15,20H,2,10-14H2,1H3/t20-/m1/s1
InChIKeyUCDICKKUZAILOP-HXUWFJFHSA-N
XLogP4.15
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.98
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-chloro-2-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

6-bromo-3-ethyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one
CID 43031860
3-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one
CID 18199015
6-chloro-3-ethyl-2-[(1S)-2-oxo-1-phenyl-2-piperazin-1-ylethyl]sulfanylquinazolin-4-one
CID 177055989
(2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide
CID 41052877
2-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]sulfanyl-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one
CID 27716286
3-ethyl-2-[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one
CID 7702486
7-chloro-2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-propylquinazolin-4-one
CID 7359679
N-[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide
CID 16571538
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 2488402
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
CID 7738199
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide
CID 2488330
7-chloro-3-(3-methylphenyl)-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylquinazolin-4-one
CID 42972283

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one?
The IUPAC name of 7-chloro-2-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one (CID 40811720) is 7-chloro-2-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one?
The canonical SMILES for 7-chloro-2-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one is CCCn1c(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 7-chloro-2-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one?
The InChIKey is UCDICKKUZAILOP-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H24ClN3O3S/c1-2-10-27-21(28)18-9-8-17(24)15-19(18)25-23(27)31-20(16-6-4-3-5-7-16)22(29)26-11-13-30-14-12-26/h3-9,15,20H,2,10-14H2,1H3/t20-/m1/s1.
What are the key properties of 7-chloro-2-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one?
7-chloro-2-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one has a molecular weight of 457.98 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one is sourced from PubChem (CID 40811720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).