1-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]cyclopropane-1-carbonitrile

C30H21N5O — CID 11979157

IUPAC1-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]cyclopropane-1-carbonitrile
SMILESCn1c(=O)n(-c2ccc(C3(C#N)CC3)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21
InChIInChI=1S/C30H21N5O/c1-34-27-17-33-26-11-6-19(21-14-20-4-2-3-5-25(20)32-16-21)15-24(26)28(27)35(29(34)36)23-9-7-22(8-10-23)30(18-31)12-13-30/h2-11,14-17H,12-13H2,1H3
InChIKeyMPZUHFMONDTNMH-UHFFFAOYSA-N
MW467.53 g/mol
LogP5.65
Rot. Bonds3

About 1-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]cyclopropane-1-carbonitrile

1-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]cyclopropane-1-carbonitrile (PubChem CID 11979157) has the molecular formula C30H21N5O and a molecular weight of 467.53 g/mol. Its IUPAC name is 1-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]cyclopropane-1-carbonitrile
PubChem CID11979157
Molecular FormulaC30H21N5O
Molecular Weight467.53 g/mol
Exact Mass467.17
IUPAC Name1-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]cyclopropane-1-carbonitrile
SMILESCn1c(=O)n(-c2ccc(C3(C#N)CC3)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21
InChIInChI=1S/C30H21N5O/c1-34-27-17-33-26-11-6-19(21-14-20-4-2-3-5-25(20)32-16-21)15-24(26)28(27)35(29(34)36)23-9-7-22(8-10-23)30(18-31)12-13-30/h2-11,14-17H,12-13H2,1H3
InChIKeyMPZUHFMONDTNMH-UHFFFAOYSA-N
XLogP5.65
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.53
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]cyclopropane-1-carbonitrile (CID 11979157) is 1-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]cyclopropane-1-carbonitrile is Cn1c(=O)n(-c2ccc(C3(C#N)CC3)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21.
What is the InChIKey of 1-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]cyclopropane-1-carbonitrile?
The InChIKey is MPZUHFMONDTNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N5O/c1-34-27-17-33-26-11-6-19(21-14-20-4-2-3-5-25(20)32-16-21)15-24(26)28(27)35(29(34)36)23-9-7-22(8-10-23)30(18-31)12-13-30/h2-11,14-17H,12-13H2,1H3.
What are the key properties of 1-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]cyclopropane-1-carbonitrile?
1-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]cyclopropane-1-carbonitrile has a molecular weight of 467.53 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 11979157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).