1-(2-methylpropyl)-2-phenoxyimidazo[4,5-c]quinoline

C20H19N3O — CID 11301561

IUPAC1-(2-methylpropyl)-2-phenoxyimidazo[4,5-c]quinoline
SMILESCC(C)Cn1c(Oc2ccccc2)nc2cnc3ccccc3c21
InChIInChI=1S/C20H19N3O/c1-14(2)13-23-19-16-10-6-7-11-17(16)21-12-18(19)22-20(23)24-15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3
InChIKeyCWEQTAMARKQIGQ-UHFFFAOYSA-N
MW317.39 g/mol
LogP5.03
Rot. Bonds4

About 1-(2-methylpropyl)-2-phenoxyimidazo[4,5-c]quinoline

1-(2-methylpropyl)-2-phenoxyimidazo[4,5-c]quinoline (PubChem CID 11301561) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-phenoxyimidazo[4,5-c]quinoline.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-phenoxyimidazo[4,5-c]quinoline
PubChem CID11301561
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name1-(2-methylpropyl)-2-phenoxyimidazo[4,5-c]quinoline
SMILESCC(C)Cn1c(Oc2ccccc2)nc2cnc3ccccc3c21
InChIInChI=1S/C20H19N3O/c1-14(2)13-23-19-16-10-6-7-11-17(16)21-12-18(19)22-20(23)24-15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3
InChIKeyCWEQTAMARKQIGQ-UHFFFAOYSA-N
XLogP5.03
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.39
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]propan-2-one
CID 15224432
2-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]propan-2-ol
CID 15224404
1-(3-methylbutyl)imidazo[4,5-c]quinolin-2-amine
CID 103964359
2-(chloromethyl)-1-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-c]quinoline
CID 103964705
2-ethyl-1-methoxyimidazo[4,5-c]quinoline
CID 67506760
2-(chloromethyl)-1-(2-methoxy-2-methylpropyl)imidazo[4,5-c]quinoline
CID 104763468
acetyl acetate;1-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]pentyl acetate
CID 90319814
2-ethyl-1-[3-(4-methoxyphenyl)prop-2-ynyl]imidazo[4,5-c]quinoline
CID 69084239
2-(chloromethyl)-1-(3-methylpentan-2-yl)imidazo[4,5-c]quinoline
CID 103964667
1-(4-methoxybutan-2-yl)imidazo[4,5-c]quinolin-2-amine
CID 103964526
1-(2-ethylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
CID 19737315
2-(2-methoxyethyl)-1-[2-(3-phenylpropoxy)ethyl]imidazo[4,5-c]quinoline
CID 22254480

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-phenoxyimidazo[4,5-c]quinoline?
The IUPAC name of 1-(2-methylpropyl)-2-phenoxyimidazo[4,5-c]quinoline (CID 11301561) is 1-(2-methylpropyl)-2-phenoxyimidazo[4,5-c]quinoline.
What is the SMILES notation for 1-(2-methylpropyl)-2-phenoxyimidazo[4,5-c]quinoline?
The canonical SMILES for 1-(2-methylpropyl)-2-phenoxyimidazo[4,5-c]quinoline is CC(C)Cn1c(Oc2ccccc2)nc2cnc3ccccc3c21.
What is the InChIKey of 1-(2-methylpropyl)-2-phenoxyimidazo[4,5-c]quinoline?
The InChIKey is CWEQTAMARKQIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-14(2)13-23-19-16-10-6-7-11-17(16)21-12-18(19)22-20(23)24-15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-2-phenoxyimidazo[4,5-c]quinoline?
1-(2-methylpropyl)-2-phenoxyimidazo[4,5-c]quinoline has a molecular weight of 317.39 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-phenoxyimidazo[4,5-c]quinoline is sourced from PubChem (CID 11301561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).