6-(4-cyclopropylimidazol-1-yl)-1-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinolin-4-one

C27H26N6O — CID 161080606

IUPAC6-(4-cyclopropylimidazol-1-yl)-1-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinolin-4-one
SMILESCC(C)n1ccnc1-c1cccc(-c2cn(C)c3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1
InChIInChI=1S/C27H26N6O/c1-17(2)33-12-11-28-27(33)23-6-4-5-22(30-23)21-14-31(3)25-10-9-19(13-20(25)26(21)34)32-15-24(29-16-32)18-7-8-18/h4-6,9-18H,7-8H2,1-3H3
InChIKeyKMQJOVCKILHXIW-UHFFFAOYSA-N
MW450.55 g/mol
LogP5.11
Rot. Bonds5

About 6-(4-cyclopropylimidazol-1-yl)-1-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinolin-4-one

6-(4-cyclopropylimidazol-1-yl)-1-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinolin-4-one (PubChem CID 161080606) has the molecular formula C27H26N6O and a molecular weight of 450.55 g/mol. Its IUPAC name is 6-(4-cyclopropylimidazol-1-yl)-1-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinolin-4-one.

Molecular Properties

Compound Name6-(4-cyclopropylimidazol-1-yl)-1-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinolin-4-one
PubChem CID161080606
Molecular FormulaC27H26N6O
Molecular Weight450.55 g/mol
Exact Mass450.22
IUPAC Name6-(4-cyclopropylimidazol-1-yl)-1-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinolin-4-one
SMILESCC(C)n1ccnc1-c1cccc(-c2cn(C)c3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1
InChIInChI=1S/C27H26N6O/c1-17(2)33-12-11-28-27(33)23-6-4-5-22(30-23)21-14-31(3)25-10-9-19(13-20(25)26(21)34)32-15-24(29-16-32)18-7-8-18/h4-6,9-18H,7-8H2,1-3H3
InChIKeyKMQJOVCKILHXIW-UHFFFAOYSA-N
XLogP5.11
TPSA70.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.55
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropylimidazol-1-yl)-1-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinolin-4-one?
The IUPAC name of 6-(4-cyclopropylimidazol-1-yl)-1-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinolin-4-one (CID 161080606) is 6-(4-cyclopropylimidazol-1-yl)-1-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinolin-4-one.
What is the SMILES notation for 6-(4-cyclopropylimidazol-1-yl)-1-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinolin-4-one?
The canonical SMILES for 6-(4-cyclopropylimidazol-1-yl)-1-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinolin-4-one is CC(C)n1ccnc1-c1cccc(-c2cn(C)c3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1.
What is the InChIKey of 6-(4-cyclopropylimidazol-1-yl)-1-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinolin-4-one?
The InChIKey is KMQJOVCKILHXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O/c1-17(2)33-12-11-28-27(33)23-6-4-5-22(30-23)21-14-31(3)25-10-9-19(13-20(25)26(21)34)32-15-24(29-16-32)18-7-8-18/h4-6,9-18H,7-8H2,1-3H3.
What are the key properties of 6-(4-cyclopropylimidazol-1-yl)-1-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinolin-4-one?
6-(4-cyclopropylimidazol-1-yl)-1-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinolin-4-one has a molecular weight of 450.55 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopropylimidazol-1-yl)-1-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinolin-4-one is sourced from PubChem (CID 161080606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).