4-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one

C15H13N3O2 — CID 129104428

IUPAC4-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESO=C1N=c2c(C3CCOCC3)nc3ccccc3c2=N1
InChIInChI=1S/C15H13N3O2/c19-15-17-13-10-3-1-2-4-11(10)16-12(14(13)18-15)9-5-7-20-8-6-9/h1-4,9H,5-8H2
InChIKeyCSNOFAJTCOUNPT-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.50
Rot. Bonds1

About 4-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one

4-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 129104428) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name4-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID129104428
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name4-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESO=C1N=c2c(C3CCOCC3)nc3ccccc3c2=N1
InChIInChI=1S/C15H13N3O2/c19-15-17-13-10-3-1-2-4-11(10)16-12(14(13)18-15)9-5-7-20-8-6-9/h1-4,9H,5-8H2
InChIKeyCSNOFAJTCOUNPT-UHFFFAOYSA-N
XLogP1.50
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tetrahydropyrano[3,4-b]indole
CID 66611208
Tetrahydropyrano[2,3-b]-indole
CID 154701154
Tetrahydropyrano-[2,3-b]quinoline
CID 129873972
2-Methylspiro[indole-3,4'-oxane]
CID 177630043
Pyrano[3,4-a]carbazole
CID 21887846
4-Methylimidazo[4,5-c]quinolin-2-one
CID 129104370
4-(Oxolan-3-yl)imidazo[4,5-c]quinolin-2-one
CID 129104560
4-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
CID 140919061
1,3,4,4a-Tetrahydropyrano[3,4-b]indole;hydrochloride
CID 141092473
4-Propan-2-ylimidazo[4,5-c]quinolin-2-one
CID 141517611
4-[(3S)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
CID 144956373
4-[(3S)-oxolan-3-yl]imidazo[4,5-c]quinolin-2-one
CID 145305821

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 4-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one (CID 129104428) is 4-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 4-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 4-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one is O=C1N=c2c(C3CCOCC3)nc3ccccc3c2=N1.
What is the InChIKey of 4-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is CSNOFAJTCOUNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-15-17-13-10-3-1-2-4-11(10)16-12(14(13)18-15)9-5-7-20-8-6-9/h1-4,9H,5-8H2.
What are the key properties of 4-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one?
4-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 267.29 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 129104428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).