(4S)-4-(4-fluorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione

C17H19FN2O2 — CID 40552646

IUPAC(4S)-4-(4-fluorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione
SMILESCN1C(=O)N[C@@H](c2ccc(F)cc2)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C17H19FN2O2/c1-17(2)8-12-14(13(21)9-17)15(19-16(22)20(12)3)10-4-6-11(18)7-5-10/h4-7,15H,8-9H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeyZLZJSYUCCOTPSA-HNNXBMFYSA-N
MW302.35 g/mol
LogP3.16
Rot. Bonds1

About (4S)-4-(4-fluorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione

(4S)-4-(4-fluorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione (PubChem CID 40552646) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is (4S)-4-(4-fluorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione.

Molecular Properties

Compound Name(4S)-4-(4-fluorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione
PubChem CID40552646
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name(4S)-4-(4-fluorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione
SMILESCN1C(=O)N[C@@H](c2ccc(F)cc2)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C17H19FN2O2/c1-17(2)8-12-14(13(21)9-17)15(19-16(22)20(12)3)10-4-6-11(18)7-5-10/h4-7,15H,8-9H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeyZLZJSYUCCOTPSA-HNNXBMFYSA-N
XLogP3.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

10-cyclopropyl-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 11668641
4-(2-chlorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione
CID 4017936
(4R)-4-(4-fluorophenyl)-1,6-dimethyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 51422909
(6R)-6-(4-fluorophenyl)-3,9,9-trimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CID 26779134
6-cyclopropyl-4-(4-fluorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 4618597
(6R)-3-benzoyl-6-(4-fluorophenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CID 51451916
9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
CID 632712
6-(4-fluorophenyl)-1-methyl-4-(4-methylphenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 16765127
6-[(4-fluorophenyl)methyl]-4-(4-hydroxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 45498002
(4R)-1-(4-fluorophenyl)-7,7-dimethyl-4-thiophen-3-yl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 1264268
(4R)-1-(2,4-difluorophenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 1266716
(10S)-10-(4-fluorophenyl)-7,7-dimethyl-5-propyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione
CID 1286614

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-fluorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione?
The IUPAC name of (4S)-4-(4-fluorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione (CID 40552646) is (4S)-4-(4-fluorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione.
What is the SMILES notation for (4S)-4-(4-fluorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione?
The canonical SMILES for (4S)-4-(4-fluorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione is CN1C(=O)N[C@@H](c2ccc(F)cc2)C2=C1CC(C)(C)CC2=O.
What is the InChIKey of (4S)-4-(4-fluorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione?
The InChIKey is ZLZJSYUCCOTPSA-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-17(2)8-12-14(13(21)9-17)15(19-16(22)20(12)3)10-4-6-11(18)7-5-10/h4-7,15H,8-9H2,1-3H3,(H,19,22)/t15-/m0/s1.
What are the key properties of (4S)-4-(4-fluorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione?
(4S)-4-(4-fluorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione has a molecular weight of 302.35 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-fluorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione is sourced from PubChem (CID 40552646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).