(7S)-7-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one

C20H23ClN4O2 — CID 1491982

IUPAC(7S)-7-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1C[C@@H](c2ccccc2Cl)Cc2nc(NCCN3CCOCC3)ncc21
InChIInChI=1S/C20H23ClN4O2/c21-17-4-2-1-3-15(17)14-11-18-16(19(26)12-14)13-23-20(24-18)22-5-6-25-7-9-27-10-8-25/h1-4,13-14H,5-12H2,(H,22,23,24)/t14-/m0/s1
InChIKeyPLDABFKBIWGMQX-AWEZNQCLSA-N
MW386.88 g/mol
LogP2.79
Rot. Bonds5

About (7S)-7-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one

(7S)-7-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 1491982) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is (7S)-7-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7S)-7-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID1491982
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name(7S)-7-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1C[C@@H](c2ccccc2Cl)Cc2nc(NCCN3CCOCC3)ncc21
InChIInChI=1S/C20H23ClN4O2/c21-17-4-2-1-3-15(17)14-11-18-16(19(26)12-14)13-23-20(24-18)22-5-6-25-7-9-27-10-8-25/h1-4,13-14H,5-12H2,(H,22,23,24)/t14-/m0/s1
InChIKeyPLDABFKBIWGMQX-AWEZNQCLSA-N
XLogP2.79
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (7S)-7-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one with MolForge

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Related Compounds

(7R)-7-(2-chlorophenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 7342667
(7S)-7-(3,5-difluorophenyl)-2-(3-morpholin-4-ylpropylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 29044438
7-(2-chlorophenyl)-2-(cyclopropylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 2945963
(7S)-4-methyl-7-(2-methylphenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 28628842
(7R)-2-(benzylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 713042
5-(4-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 171989086
2-(2-morpholin-4-ium-4-ylethylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
CID 3561846
5-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80777687
N-(2,3-dichlorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide
CID 109253299
(9R)-9-(furan-2-yl)-3-(2-morpholin-4-ylethylamino)-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione
CID 136896792
2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 3234098
2-(2-chlorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one
CID 3771518

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7S)-7-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one (CID 1491982) is (7S)-7-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7S)-7-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7S)-7-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one is O=C1C[C@@H](c2ccccc2Cl)Cc2nc(NCCN3CCOCC3)ncc21.
What is the InChIKey of (7S)-7-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is PLDABFKBIWGMQX-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c21-17-4-2-1-3-15(17)14-11-18-16(19(26)12-14)13-23-20(24-18)22-5-6-25-7-9-27-10-8-25/h1-4,13-14H,5-12H2,(H,22,23,24)/t14-/m0/s1.
What are the key properties of (7S)-7-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one?
(7S)-7-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 386.88 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 1491982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).