2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-morpholin-4-ylethanone

C20H18ClN3O2S — CID 16644551

IUPAC2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESO=C(CSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1)N1CCOCC1
InChIInChI=1S/C20H18ClN3O2S/c21-15-6-7-17-16(12-15)19(14-4-2-1-3-5-14)23-20(22-17)27-13-18(25)24-8-10-26-11-9-24/h1-7,12H,8-11,13H2
InChIKeyJBQILUSKPXOSJK-UHFFFAOYSA-N
MW399.90 g/mol
LogP3.90
Rot. Bonds4

About 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-morpholin-4-ylethanone

2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-morpholin-4-ylethanone (PubChem CID 16644551) has the molecular formula C20H18ClN3O2S and a molecular weight of 399.90 g/mol. Its IUPAC name is 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-morpholin-4-ylethanone
PubChem CID16644551
Molecular FormulaC20H18ClN3O2S
Molecular Weight399.90 g/mol
Exact Mass399.08
IUPAC Name2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESO=C(CSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1)N1CCOCC1
InChIInChI=1S/C20H18ClN3O2S/c21-15-6-7-17-16(12-15)19(14-4-2-1-3-5-14)23-20(22-17)27-13-18(25)24-8-10-26-11-9-24/h1-7,12H,8-11,13H2
InChIKeyJBQILUSKPXOSJK-UHFFFAOYSA-N
XLogP3.90
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Chloro-phenyl)-2-morpholin-4-yl-quinazoline
CID 741297
2-[4-(6-Chloro-4-phenylquinazolin-2-yl)piperazin-1-yl]ethanol
CID 665288
6-Chloro-4-phenyl-2-(prop-2-enylthio)quinazoline
CID 1925990
6-chloro-N-{5-[2-(morpholin-4-yl)ethyl]-1,3,5-triazinan-2-ylidene}-4-phenylquinazolin-2-amine
CID 663484
3-[(6-Chloro-4-phenylquinazolin-2-yl)sulfanyl]-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 5113004
3-[2-[[6-Chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]ethyl]-1,3-thiazolidine-2,4-dione
CID 45379809
[6-Chloro-4-(2-chlorophenyl)quinazolin-2-yl]-piperidin-1-ylmethanone
CID 57521596
6-Chloro-2-(ethylsulfanyl)-4-phenylquinazoline
CID 751838
4-[2-(2-Chlorophenyl)quinazolin-4-yl]morpholine
CID 710949
2-[4-[4-[4-[2-[2-[2-(2-Aminoethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-6-chloroquinazolin-2-yl]guanidine
CID 86274202
2-[4-[4-[4-[2-[2-(2-Aminoethoxy)ethoxy]ethyl]piperazin-1-yl]phenyl]-6-chloroquinazolin-2-yl]guanidine
CID 86274689
2-[4-[3-[4-[2-[2-(2-Aminoethoxy)ethoxy]ethyl]piperazin-1-yl]phenyl]-6-chloroquinazolin-2-yl]guanidine
CID 118933337

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-morpholin-4-ylethanone (CID 16644551) is 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-morpholin-4-ylethanone is O=C(CSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1)N1CCOCC1.
What is the InChIKey of 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is JBQILUSKPXOSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2S/c21-15-6-7-17-16(12-15)19(14-4-2-1-3-5-14)23-20(22-17)27-13-18(25)24-8-10-26-11-9-24/h1-7,12H,8-11,13H2.
What are the key properties of 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-morpholin-4-ylethanone?
2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 399.90 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 16644551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).