1-[(6-methyl-2-pyridinyl)methyl]-3-(pyridine-3-carbonyl)quinolin-4-one;3-(pyridine-3-carbonyl)-1H-quinolin-4-one

C37H27N5O4 — CID 159716203

IUPAC1-[(6-methyl-2-pyridinyl)methyl]-3-(pyridine-3-carbonyl)quinolin-4-one;3-(pyridine-3-carbonyl)-1H-quinolin-4-one
SMILESCc1cccc(Cn2cc(C(=O)c3cccnc3)c(=O)c3ccccc32)n1.O=C(c1cccnc1)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C22H17N3O2.C15H10N2O2/c1-15-6-4-8-17(24-15)13-25-14-19(21(26)16-7-5-11-23-12-16)22(27)18-9-2-3-10-20(18)25;18-14(10-4-3-7-16-8-10)12-9-17-13-6-2-1-5-11(13)15(12)19/h2-12,14H,13H2,1H3;1-9H,(H,17,19)
InChIKeyMZLRONWWNWXLTP-UHFFFAOYSA-N
MW605.65 g/mol
LogP5.53
Rot. Bonds6

About 1-[(6-methyl-2-pyridinyl)methyl]-3-(pyridine-3-carbonyl)quinolin-4-one;3-(pyridine-3-carbonyl)-1H-quinolin-4-one

1-[(6-methyl-2-pyridinyl)methyl]-3-(pyridine-3-carbonyl)quinolin-4-one;3-(pyridine-3-carbonyl)-1H-quinolin-4-one (PubChem CID 159716203) has the molecular formula C37H27N5O4 and a molecular weight of 605.65 g/mol. Its IUPAC name is 1-[(6-methyl-2-pyridinyl)methyl]-3-(pyridine-3-carbonyl)quinolin-4-one;3-(pyridine-3-carbonyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name1-[(6-methyl-2-pyridinyl)methyl]-3-(pyridine-3-carbonyl)quinolin-4-one;3-(pyridine-3-carbonyl)-1H-quinolin-4-one
PubChem CID159716203
Molecular FormulaC37H27N5O4
Molecular Weight605.65 g/mol
Exact Mass605.21
IUPAC Name1-[(6-methyl-2-pyridinyl)methyl]-3-(pyridine-3-carbonyl)quinolin-4-one;3-(pyridine-3-carbonyl)-1H-quinolin-4-one
SMILESCc1cccc(Cn2cc(C(=O)c3cccnc3)c(=O)c3ccccc32)n1.O=C(c1cccnc1)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C22H17N3O2.C15H10N2O2/c1-15-6-4-8-17(24-15)13-25-14-19(21(26)16-7-5-11-23-12-16)22(27)18-9-2-3-10-20(18)25;18-14(10-4-3-7-16-8-10)12-9-17-13-6-2-1-5-11(13)15(12)19/h2-12,14H,13H2,1H3;1-9H,(H,17,19)
InChIKeyMZLRONWWNWXLTP-UHFFFAOYSA-N
XLogP5.53
TPSA127.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.65
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[(6-methyl-2-pyridinyl)methyl]-3-(pyridine-3-carbonyl)quinolin-4-one;3-(pyridine-3-carbonyl)-1H-quinolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-[1-[(6-methyl-2-pyridinyl)methyl]-4-oxoquinoline-3-carbonyl]benzoic acid
CID 70830776
1-[(3-methylphenyl)methyl]-3-(2-methylpyridine-4-carbonyl)quinolin-4-one;3-(2-methylpyridine-4-carbonyl)-1H-quinolin-4-one
CID 161491228
3-(5,6-dimethylpyridine-3-carbonyl)-1-[[6-(1,3-oxazol-2-yl)-2-pyridinyl]methyl]quinolin-4-one
CID 16731093
3-[6-(dimethylamino)pyridine-3-carbonyl]-1-[(3-methylphenyl)methyl]quinolin-4-one
CID 143465593
ethane;1-[(6-methyl-2-pyridinyl)methyl]-3-[(3E,5Z)-3-prop-1-en-2-ylhepta-1,3,5-trien-2-yl]quinolin-4-one
CID 143465515
(6-methyl-1H-indol-3-yl)-pyridin-3-ylmethanone
CID 43341972
[3-(ethoxymethyl)-2-(1H-indole-3-carbonyl)imidazol-4-yl]-pyridin-3-ylmethanone
CID 23249662
3-(3,4-dimethylbenzoyl)-1-(pyrimidin-2-ylmethyl)quinolin-4-one
CID 16731247
1-[(6-bromo-2-pyridinyl)methyl]-3-[3-(dimethylamino)benzoyl]quinolin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxoquinoline-3-carboxamide
CID 160900891
1-[(6-bromo-2-pyridinyl)methyl]-N-(methoxymethyl)-4-oxoquinoline-3-carboxamide
CID 87187921
3-(3,4-dimethylbenzoyl)-1-(1,3-thiazol-4-ylmethyl)quinolin-4-one
CID 16730934
3-(4-methoxy-3-methylbenzoyl)-1H-1,8-naphthyridin-4-one;3-(4-methoxy-3-methylbenzoyl)-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-4-one
CID 162263303

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]-3-(pyridine-3-carbonyl)quinolin-4-one;3-(pyridine-3-carbonyl)-1H-quinolin-4-one?
The IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]-3-(pyridine-3-carbonyl)quinolin-4-one;3-(pyridine-3-carbonyl)-1H-quinolin-4-one (CID 159716203) is 1-[(6-methyl-2-pyridinyl)methyl]-3-(pyridine-3-carbonyl)quinolin-4-one;3-(pyridine-3-carbonyl)-1H-quinolin-4-one.
What is the SMILES notation for 1-[(6-methyl-2-pyridinyl)methyl]-3-(pyridine-3-carbonyl)quinolin-4-one;3-(pyridine-3-carbonyl)-1H-quinolin-4-one?
The canonical SMILES for 1-[(6-methyl-2-pyridinyl)methyl]-3-(pyridine-3-carbonyl)quinolin-4-one;3-(pyridine-3-carbonyl)-1H-quinolin-4-one is Cc1cccc(Cn2cc(C(=O)c3cccnc3)c(=O)c3ccccc32)n1.O=C(c1cccnc1)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of 1-[(6-methyl-2-pyridinyl)methyl]-3-(pyridine-3-carbonyl)quinolin-4-one;3-(pyridine-3-carbonyl)-1H-quinolin-4-one?
The InChIKey is MZLRONWWNWXLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2.C15H10N2O2/c1-15-6-4-8-17(24-15)13-25-14-19(21(26)16-7-5-11-23-12-16)22(27)18-9-2-3-10-20(18)25;18-14(10-4-3-7-16-8-10)12-9-17-13-6-2-1-5-11(13)15(12)19/h2-12,14H,13H2,1H3;1-9H,(H,17,19).
What are the key properties of 1-[(6-methyl-2-pyridinyl)methyl]-3-(pyridine-3-carbonyl)quinolin-4-one;3-(pyridine-3-carbonyl)-1H-quinolin-4-one?
1-[(6-methyl-2-pyridinyl)methyl]-3-(pyridine-3-carbonyl)quinolin-4-one;3-(pyridine-3-carbonyl)-1H-quinolin-4-one has a molecular weight of 605.65 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-2-pyridinyl)methyl]-3-(pyridine-3-carbonyl)quinolin-4-one;3-(pyridine-3-carbonyl)-1H-quinolin-4-one is sourced from PubChem (CID 159716203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).