1,3,5,6,7,8-hexahydroimidazo[4,5-g]quinolin-2-one

C10H11N3O — CID 67909917

IUPAC1,3,5,6,7,8-hexahydroimidazo[4,5-g]quinolin-2-one
SMILESO=c1[nH]c2cc3c(cc2[nH]1)NCCC3
InChIInChI=1S/C10H11N3O/c14-10-12-8-4-6-2-1-3-11-7(6)5-9(8)13-10/h4-5,11H,1-3H2,(H2,12,13,14)
InChIKeyPMRMTSVNRJLODB-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.21
Rot. Bonds

About 1,3,5,6,7,8-hexahydroimidazo[4,5-g]quinolin-2-one

1,3,5,6,7,8-hexahydroimidazo[4,5-g]quinolin-2-one (PubChem CID 67909917) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 1,3,5,6,7,8-hexahydroimidazo[4,5-g]quinolin-2-one.

Molecular Properties

Compound Name1,3,5,6,7,8-hexahydroimidazo[4,5-g]quinolin-2-one
PubChem CID67909917
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name1,3,5,6,7,8-hexahydroimidazo[4,5-g]quinolin-2-one
SMILESO=c1[nH]c2cc3c(cc2[nH]1)NCCC3
InChIInChI=1S/C10H11N3O/c14-10-12-8-4-6-2-1-3-11-7(6)5-9(8)13-10/h4-5,11H,1-3H2,(H2,12,13,14)
InChIKeyPMRMTSVNRJLODB-UHFFFAOYSA-N
XLogP1.21
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,6,7,8,9-hexahydro-1H-pyrido[3,2-g]quinolin-2-one
CID 2749367
6,7,8,9-tetrahydropyrano[2,3-g]quinolin-2-one
CID 166929497
6-fluoro-1,2,3,4-tetrahydroquinoline-7-carbaldehyde
CID 96629336
7-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
CID 171080337
7-fluoro-6-methyl-1,2,3,4-tetrahydroquinoline
CID 70470172
6-bromo-1,2,3,4-tetrahydroquinolin-7-amine
CID 82391421
7-bromo-6-methyl-1,2,3,4-tetrahydroquinoline
CID 71757147
2,3,4,5-tetrahydro-1H-1-benzazepine-7,8-diol
CID 90841519
1,2,3,4,6,7,9,10-octahydropyrido[2,3-h][3]benzazepin-8-amine
CID 71228811
6-methyl-7-nitro-1,2,3,4-tetrahydroquinoline
CID 59442001
6-methoxy-7-methyl-1,2,3,4-tetrahydroquinoline
CID 84656157
2,2-dimethyl-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3(12),4,10,15,21-hexaene
CID 46894466

Frequently Asked Questions

What is the IUPAC name of 1,3,5,6,7,8-hexahydroimidazo[4,5-g]quinolin-2-one?
The IUPAC name of 1,3,5,6,7,8-hexahydroimidazo[4,5-g]quinolin-2-one (CID 67909917) is 1,3,5,6,7,8-hexahydroimidazo[4,5-g]quinolin-2-one.
What is the SMILES notation for 1,3,5,6,7,8-hexahydroimidazo[4,5-g]quinolin-2-one?
The canonical SMILES for 1,3,5,6,7,8-hexahydroimidazo[4,5-g]quinolin-2-one is O=c1[nH]c2cc3c(cc2[nH]1)NCCC3.
What is the InChIKey of 1,3,5,6,7,8-hexahydroimidazo[4,5-g]quinolin-2-one?
The InChIKey is PMRMTSVNRJLODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c14-10-12-8-4-6-2-1-3-11-7(6)5-9(8)13-10/h4-5,11H,1-3H2,(H2,12,13,14).
What are the key properties of 1,3,5,6,7,8-hexahydroimidazo[4,5-g]quinolin-2-one?
1,3,5,6,7,8-hexahydroimidazo[4,5-g]quinolin-2-one has a molecular weight of 189.22 g/mol, XLogP of 1.21, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,6,7,8-hexahydroimidazo[4,5-g]quinolin-2-one is sourced from PubChem (CID 67909917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).