8-[6-(1-aminocyclopropyl)-3-pyridinyl]-3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]imidazo[4,5-c]quinolin-2-one

C29H27N5O3S — CID 71565929

IUPAC8-[6-(1-aminocyclopropyl)-3-pyridinyl]-3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]imidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(-c2ccc(C3(S(C)(=O)=O)CC3)cc2)c2c3cc(-c4ccc(C5(N)CC5)nc4)ccc3ncc21
InChIInChI=1S/C29H27N5O3S/c1-33-24-17-31-23-9-3-18(19-4-10-25(32-16-19)28(30)11-12-28)15-22(23)26(24)34(27(33)35)21-7-5-20(6-8-21)29(13-14-29)38(2,36)37/h3-10,15-17H,11-14,30H2,1-2H3
InChIKeyIERJVRLNIRCTNI-UHFFFAOYSA-N
MW525.63 g/mol
LogP3.92
Rot. Bonds5

About 8-[6-(1-aminocyclopropyl)-3-pyridinyl]-3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]imidazo[4,5-c]quinolin-2-one

8-[6-(1-aminocyclopropyl)-3-pyridinyl]-3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]imidazo[4,5-c]quinolin-2-one (PubChem CID 71565929) has the molecular formula C29H27N5O3S and a molecular weight of 525.63 g/mol. Its IUPAC name is 8-[6-(1-aminocyclopropyl)-3-pyridinyl]-3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-[6-(1-aminocyclopropyl)-3-pyridinyl]-3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]imidazo[4,5-c]quinolin-2-one
PubChem CID71565929
Molecular FormulaC29H27N5O3S
Molecular Weight525.63 g/mol
Exact Mass525.18
IUPAC Name8-[6-(1-aminocyclopropyl)-3-pyridinyl]-3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]imidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(-c2ccc(C3(S(C)(=O)=O)CC3)cc2)c2c3cc(-c4ccc(C5(N)CC5)nc4)ccc3ncc21
InChIInChI=1S/C29H27N5O3S/c1-33-24-17-31-23-9-3-18(19-4-10-25(32-16-19)28(30)11-12-28)15-22(23)26(24)34(27(33)35)21-7-5-20(6-8-21)29(13-14-29)38(2,36)37/h3-10,15-17H,11-14,30H2,1-2H3
InChIKeyIERJVRLNIRCTNI-UHFFFAOYSA-N
XLogP3.92
TPSA112.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.63
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]-2-oxoimidazo[4,5-c]quinolin-8-yl]benzonitrile
CID 71565711
N-methyl-5-[3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]-2-oxoimidazo[4,5-c]quinolin-8-yl]pyridine-2-carboxamide
CID 71565931
8-iodo-3-methyl-1-[4-[1-[methyl-oxo-(oxomethylidene)-λ6-sulfanyl]cyclopropyl]phenyl]imidazo[4,5-c]quinolin-2-one
CID 163653041
1-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]cyclopropane-1-carbonitrile;4-methylbenzenesulfonic acid
CID 87185153
1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
CID 66846394
ethyl 2-[3-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]oxetan-3-yl]acetate
CID 86267360
1-(4-methoxyphenyl)-3-methyl-8-thiophen-3-ylimidazo[4,5-c]quinolin-2-one
CID 134438123
5-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-2-carbonitrile
CID 57344183
N-methyl-N-[4-(3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanesulfonamide
CID 11978436
2-methyl-2-[4-[3-methyl-2-oxo-8-[6-[(1Z,3Z)-penta-1,3-dienyl]-3-pyridinyl]imidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile
CID 144955468
4-methylbenzenesulfonic acid;3-methyl-1-naphthalen-2-yl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
CID 87185338
4-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide
CID 127045644

Frequently Asked Questions

What is the IUPAC name of 8-[6-(1-aminocyclopropyl)-3-pyridinyl]-3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-[6-(1-aminocyclopropyl)-3-pyridinyl]-3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]imidazo[4,5-c]quinolin-2-one (CID 71565929) is 8-[6-(1-aminocyclopropyl)-3-pyridinyl]-3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-[6-(1-aminocyclopropyl)-3-pyridinyl]-3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-[6-(1-aminocyclopropyl)-3-pyridinyl]-3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]imidazo[4,5-c]quinolin-2-one is Cn1c(=O)n(-c2ccc(C3(S(C)(=O)=O)CC3)cc2)c2c3cc(-c4ccc(C5(N)CC5)nc4)ccc3ncc21.
What is the InChIKey of 8-[6-(1-aminocyclopropyl)-3-pyridinyl]-3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The InChIKey is IERJVRLNIRCTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O3S/c1-33-24-17-31-23-9-3-18(19-4-10-25(32-16-19)28(30)11-12-28)15-22(23)26(24)34(27(33)35)21-7-5-20(6-8-21)29(13-14-29)38(2,36)37/h3-10,15-17H,11-14,30H2,1-2H3.
What are the key properties of 8-[6-(1-aminocyclopropyl)-3-pyridinyl]-3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]imidazo[4,5-c]quinolin-2-one?
8-[6-(1-aminocyclopropyl)-3-pyridinyl]-3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]imidazo[4,5-c]quinolin-2-one has a molecular weight of 525.63 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(1-aminocyclopropyl)-3-pyridinyl]-3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 71565929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).