(7R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one

C22H27N3O — CID 99721337

IUPAC(7R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc([C@H]2CC(=O)c3cnc(N4C[C@H](C)C[C@@H](C)C4)nc3C2)cc1
InChIInChI=1S/C22H27N3O/c1-14-4-6-17(7-5-14)18-9-20-19(21(26)10-18)11-23-22(24-20)25-12-15(2)8-16(3)13-25/h4-7,11,15-16,18H,8-10,12-13H2,1-3H3/t15-,16-,18-/m1/s1
InChIKeyMFQYKKPLFPHEMD-JFIYKMOQSA-N
MW349.48 g/mol
LogP4.18
Rot. Bonds2

About (7R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one

(7R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 99721337) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is (7R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID99721337
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name(7R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc([C@H]2CC(=O)c3cnc(N4C[C@H](C)C[C@@H](C)C4)nc3C2)cc1
InChIInChI=1S/C22H27N3O/c1-14-4-6-17(7-5-14)18-9-20-19(21(26)10-18)11-23-22(24-20)25-12-15(2)8-16(3)13-25/h4-7,11,15-16,18H,8-10,12-13H2,1-3H3/t15-,16-,18-/m1/s1
InChIKeyMFQYKKPLFPHEMD-JFIYKMOQSA-N
XLogP4.18
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one with MolForge

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Related Compounds

2-(3,5-dimethylpiperidin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 664565
(7R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 98216835
2-(3,5-dimethylpiperidin-1-yl)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 3987266
4-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde
CID 16566970
(7S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 41386657
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 946339
(7R)-7-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 42570579
(7S)-2-(4-ethylpiperazin-4-ium-1-yl)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 2035840
2-[4-(2-methylbenzoyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 155753361
(7S)-7-(4-chlorophenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 41285448
(7S)-2-(4-fluoroanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 1389056
(7R)-2-(4-methoxyanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 1415093

Frequently Asked Questions

What is the IUPAC name of (7R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one (CID 99721337) is (7R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one is Cc1ccc([C@H]2CC(=O)c3cnc(N4C[C@H](C)C[C@@H](C)C4)nc3C2)cc1.
What is the InChIKey of (7R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is MFQYKKPLFPHEMD-JFIYKMOQSA-N. The full InChI is InChI=1S/C22H27N3O/c1-14-4-6-17(7-5-14)18-9-20-19(21(26)10-18)11-23-22(24-20)25-12-15(2)8-16(3)13-25/h4-7,11,15-16,18H,8-10,12-13H2,1-3H3/t15-,16-,18-/m1/s1.
What are the key properties of (7R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
(7R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 349.48 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 99721337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).