(4R)-4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione

C16H17ClN2O2 — CID 7344542

IUPAC(4R)-4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione
SMILESCC1(C)CC(=O)C2=C(C1)NC(=O)N[C@H]2c1ccccc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-16(2)7-11-13(12(20)8-16)14(19-15(21)18-11)9-5-3-4-6-10(9)17/h3-6,14H,7-8H2,1-2H3,(H2,18,19,21)/t14-/m0/s1
InChIKeyOAVQYTZJLFPLFA-AWEZNQCLSA-N
MW304.78 g/mol
LogP3.34
Rot. Bonds1

About (4R)-4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione

(4R)-4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione (PubChem CID 7344542) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is (4R)-4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione.

Molecular Properties

Compound Name(4R)-4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione
PubChem CID7344542
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name(4R)-4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione
SMILESCC1(C)CC(=O)C2=C(C1)NC(=O)N[C@H]2c1ccccc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-16(2)7-11-13(12(20)8-16)14(19-15(21)18-11)9-5-3-4-6-10(9)17/h3-6,14H,7-8H2,1-2H3,(H2,18,19,21)/t14-/m0/s1
InChIKeyOAVQYTZJLFPLFA-AWEZNQCLSA-N
XLogP3.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4R)-4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione with MolForge

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Related Compounds

(4S)-4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione
CID 7344544
7,7-dimethyl-4-(2-nitrophenyl)-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione
CID 69342394
4-(2-chlorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione
CID 4017936
(6S)-6-(2,4-dichlorophenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CID 1002845
4-(4-bromophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione
CID 46242825
(4S)-4-(2-chlorophenyl)-6-ethyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
CID 9267882
9-(2-chlorophenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-3H-furo[3,4-b]quinoline-1,8-dione;ethane
CID 143018500
4-(4-methoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione
CID 4178613
(4R)-4-(2-chlorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 136728446
(4S)-4-(2-methoxyphenyl)-7,7-dimethyl-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinazolin-5-one
CID 7064776
(6R)-6-(2-methoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CID 741919
6-[2-(dimethylamino)phenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CID 139207906

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione?
The IUPAC name of (4R)-4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione (CID 7344542) is (4R)-4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione.
What is the SMILES notation for (4R)-4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione?
The canonical SMILES for (4R)-4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione is CC1(C)CC(=O)C2=C(C1)NC(=O)N[C@H]2c1ccccc1Cl.
What is the InChIKey of (4R)-4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione?
The InChIKey is OAVQYTZJLFPLFA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-16(2)7-11-13(12(20)8-16)14(19-15(21)18-11)9-5-3-4-6-10(9)17/h3-6,14H,7-8H2,1-2H3,(H2,18,19,21)/t14-/m0/s1.
What are the key properties of (4R)-4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione?
(4R)-4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione has a molecular weight of 304.78 g/mol, XLogP of 3.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione is sourced from PubChem (CID 7344542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).