(7R)-7-(2-chlorophenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one

C22H20ClN3O — CID 7342667

IUPAC(7R)-7-(2-chlorophenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1C[C@H](c2ccccc2Cl)Cc2nc(NCCc3ccccc3)ncc21
InChIInChI=1S/C22H20ClN3O/c23-19-9-5-4-8-17(19)16-12-20-18(21(27)13-16)14-25-22(26-20)24-11-10-15-6-2-1-3-7-15/h1-9,14,16H,10-13H2,(H,24,25,26)/t16-/m1/s1
InChIKeyBDCFJBBSIJNPGA-MRXNPFEDSA-N
MW377.88 g/mol
LogP4.70
Rot. Bonds5

About (7R)-7-(2-chlorophenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one

(7R)-7-(2-chlorophenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 7342667) has the molecular formula C22H20ClN3O and a molecular weight of 377.88 g/mol. Its IUPAC name is (7R)-7-(2-chlorophenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7R)-7-(2-chlorophenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID7342667
Molecular FormulaC22H20ClN3O
Molecular Weight377.88 g/mol
Exact Mass377.13
IUPAC Name(7R)-7-(2-chlorophenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1C[C@H](c2ccccc2Cl)Cc2nc(NCCc3ccccc3)ncc21
InChIInChI=1S/C22H20ClN3O/c23-19-9-5-4-8-17(19)16-12-20-18(21(27)13-16)14-25-22(26-20)24-11-10-15-6-2-1-3-7-15/h1-9,14,16H,10-13H2,(H,24,25,26)/t16-/m1/s1
InChIKeyBDCFJBBSIJNPGA-MRXNPFEDSA-N
XLogP4.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7R)-7-(2-chlorophenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one with MolForge

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Related Compounds

(7S)-7-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 1491982
7-(2-chlorophenyl)-2-(cyclopropylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 2945963
2-(benzylamino)-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 16584123
(7R)-2-(benzylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 713042
(7R)-7-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]-7,8-dihydro-6H-quinazolin-5-one
CID 7342552
4-methyl-7-(2-methylphenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 16652857
(7R)-2-(cyclopentylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 7342529
N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]-2-phenylacetamide
CID 2021087
(9S)-9-phenyl-3-(2-phenylethylamino)-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione
CID 135881824
5-chloro-2-(2-phenylethylamino)pyrimidine-4-carboxylate
CID 2325047
(7R)-2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 738767
2-chloro-N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 3887888

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(2-chlorophenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7R)-7-(2-chlorophenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one (CID 7342667) is (7R)-7-(2-chlorophenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7R)-7-(2-chlorophenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7R)-7-(2-chlorophenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one is O=C1C[C@H](c2ccccc2Cl)Cc2nc(NCCc3ccccc3)ncc21.
What is the InChIKey of (7R)-7-(2-chlorophenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is BDCFJBBSIJNPGA-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H20ClN3O/c23-19-9-5-4-8-17(19)16-12-20-18(21(27)13-16)14-25-22(26-20)24-11-10-15-6-2-1-3-7-15/h1-9,14,16H,10-13H2,(H,24,25,26)/t16-/m1/s1.
What are the key properties of (7R)-7-(2-chlorophenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one?
(7R)-7-(2-chlorophenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 377.88 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(2-chlorophenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 7342667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).