(4S)-4-(4-ethylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione

C16H18N2O2 — CID 756989

IUPAC(4S)-4-(4-ethylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
SMILESCCc1ccc([C@@H]2NC(=O)NC3=C2C(=O)CCC3)cc1
InChIInChI=1S/C16H18N2O2/c1-2-10-6-8-11(9-7-10)15-14-12(17-16(20)18-15)4-3-5-13(14)19/h6-9,15H,2-5H2,1H3,(H2,17,18,20)/t15-/m0/s1
InChIKeyFBXAWSOVWXKEJW-HNNXBMFYSA-N
MW270.33 g/mol
LogP2.61
Rot. Bonds2

About (4S)-4-(4-ethylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione

(4S)-4-(4-ethylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione (PubChem CID 756989) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (4S)-4-(4-ethylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione.

Molecular Properties

Compound Name(4S)-4-(4-ethylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
PubChem CID756989
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(4S)-4-(4-ethylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
SMILESCCc1ccc([C@@H]2NC(=O)NC3=C2C(=O)CCC3)cc1
InChIInChI=1S/C16H18N2O2/c1-2-10-6-8-11(9-7-10)15-14-12(17-16(20)18-15)4-3-5-13(14)19/h6-9,15H,2-5H2,1H3,(H2,17,18,20)/t15-/m0/s1
InChIKeyFBXAWSOVWXKEJW-HNNXBMFYSA-N
XLogP2.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-(4-chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
CID 7590851
[4-(2,5-dioxo-1,3,4,6,7,8-hexahydroquinazolin-4-yl)phenyl]boronic acid
CID 102096907
4-(4-ethylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 6621513
5-(4-ethylphenyl)imidazolidine-2,4-dione
CID 60693099
2-benzoyl-6-(4-ethylphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 22330355
4-(3-ethoxy-4-hydroxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
CID 23968011
propyl 4-(4-ethylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2847606
4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
CID 4674621
2-ethoxyethyl (4R)-4-(4-ethylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 51399207
(6S)-6-(4-chlorophenyl)-2,3-dimethyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 7084838
4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
CID 10754643
propan-2-yl 4-(4-ethylphenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
CID 3503723

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-ethylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The IUPAC name of (4S)-4-(4-ethylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione (CID 756989) is (4S)-4-(4-ethylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione.
What is the SMILES notation for (4S)-4-(4-ethylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The canonical SMILES for (4S)-4-(4-ethylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione is CCc1ccc([C@@H]2NC(=O)NC3=C2C(=O)CCC3)cc1.
What is the InChIKey of (4S)-4-(4-ethylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The InChIKey is FBXAWSOVWXKEJW-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-10-6-8-11(9-7-10)15-14-12(17-16(20)18-15)4-3-5-13(14)19/h6-9,15H,2-5H2,1H3,(H2,17,18,20)/t15-/m0/s1.
What are the key properties of (4S)-4-(4-ethylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
(4S)-4-(4-ethylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione has a molecular weight of 270.33 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-ethylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione is sourced from PubChem (CID 756989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).