4-propan-2-yl-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione

C11H16N2O2 — CID 86037433

IUPAC4-propan-2-yl-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
SMILESCC(C)C1NC(=O)NC2=C1C(=O)CCC2
InChIInChI=1S/C11H16N2O2/c1-6(2)10-9-7(12-11(15)13-10)4-3-5-8(9)14/h6,10H,3-5H2,1-2H3,(H2,12,13,15)
InChIKeyDXCIREUGHSHLNY-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.33
Rot. Bonds1

About 4-propan-2-yl-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione

4-propan-2-yl-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione (PubChem CID 86037433) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-propan-2-yl-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione.

Molecular Properties

Compound Name4-propan-2-yl-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
PubChem CID86037433
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-propan-2-yl-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
SMILESCC(C)C1NC(=O)NC2=C1C(=O)CCC2
InChIInChI=1S/C11H16N2O2/c1-6(2)10-9-7(12-11(15)13-10)4-3-5-8(9)14/h6,10H,3-5H2,1-2H3,(H2,12,13,15)
InChIKeyDXCIREUGHSHLNY-UHFFFAOYSA-N
XLogP1.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-propan-2-yl-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-(4-chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
CID 7590851
(4S)-4-(4-ethylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
CID 756989
4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
CID 10754643
[4-(2,5-dioxo-1,3,4,6,7,8-hexahydroquinazolin-4-yl)phenyl]boronic acid
CID 102096907
(4S)-4-phenylmethoxy-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
CID 853727
(4S)-3-methyl-4-(2-methylpropyl)-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 135902409
9-propan-2-yl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
CID 10682779
4-(3-ethoxy-4-hydroxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
CID 23968011
9,9-dimethyl-6-propan-2-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CID 2728747
(4S)-2-ethylsulfanyl-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 877181
9-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 126063052
(3aS,8bS)-8b-methyl-3,3a,4,5,6,7-hexahydro-1H-pyrrolo[2,3-b]indole-2,8-dione
CID 15249926

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The IUPAC name of 4-propan-2-yl-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione (CID 86037433) is 4-propan-2-yl-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione.
What is the SMILES notation for 4-propan-2-yl-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The canonical SMILES for 4-propan-2-yl-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione is CC(C)C1NC(=O)NC2=C1C(=O)CCC2.
What is the InChIKey of 4-propan-2-yl-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The InChIKey is DXCIREUGHSHLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-6(2)10-9-7(12-11(15)13-10)4-3-5-8(9)14/h6,10H,3-5H2,1-2H3,(H2,12,13,15).
What are the key properties of 4-propan-2-yl-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
4-propan-2-yl-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione has a molecular weight of 208.26 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione is sourced from PubChem (CID 86037433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).