1-[8-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-(2-methylanilino)quinolin-3-yl]butan-1-one

C27H25N5O — CID 10342937

IUPAC1-[8-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-(2-methylanilino)quinolin-3-yl]butan-1-one
SMILESCCCC(=O)c1cnc2c(Cc3nc4ncccc4[nH]3)cccc2c1Nc1ccccc1C
InChIInChI=1S/C27H25N5O/c1-3-8-23(33)20-16-29-25-18(15-24-30-22-13-7-14-28-27(22)32-24)10-6-11-19(25)26(20)31-21-12-5-4-9-17(21)2/h4-7,9-14,16H,3,8,15H2,1-2H3,(H,29,31)(H,28,30,32)
InChIKeyIZMOGTGQJXMTET-UHFFFAOYSA-N
MW435.53 g/mol
LogP6.13
Rot. Bonds7

About 1-[8-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-(2-methylanilino)quinolin-3-yl]butan-1-one

1-[8-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-(2-methylanilino)quinolin-3-yl]butan-1-one (PubChem CID 10342937) has the molecular formula C27H25N5O and a molecular weight of 435.53 g/mol. Its IUPAC name is 1-[8-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-(2-methylanilino)quinolin-3-yl]butan-1-one.

Molecular Properties

Compound Name1-[8-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-(2-methylanilino)quinolin-3-yl]butan-1-one
PubChem CID10342937
Molecular FormulaC27H25N5O
Molecular Weight435.53 g/mol
Exact Mass435.21
IUPAC Name1-[8-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-(2-methylanilino)quinolin-3-yl]butan-1-one
SMILESCCCC(=O)c1cnc2c(Cc3nc4ncccc4[nH]3)cccc2c1Nc1ccccc1C
InChIInChI=1S/C27H25N5O/c1-3-8-23(33)20-16-29-25-18(15-24-30-22-13-7-14-28-27(22)32-24)10-6-11-19(25)26(20)31-21-12-5-4-9-17(21)2/h4-7,9-14,16H,3,8,15H2,1-2H3,(H,29,31)(H,28,30,32)
InChIKeyIZMOGTGQJXMTET-UHFFFAOYSA-N
XLogP6.13
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[8-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-(2-methylanilino)quinolin-3-yl]butan-1-one with MolForge

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Related Compounds

1-[8-methyl-4-(2-methylanilino)quinolin-3-yl]butan-1-one
CID 10336037
1-[8-(3-hydroxypropyl)-4-(2-methylanilino)quinolin-3-yl]butan-1-one
CID 10090049
1-[8-(1-methoxyethoxy)-4-(2-methylanilino)quinolin-3-yl]butan-1-one
CID 142628369
1-[8-[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]-4-(2-methylanilino)quinolin-3-yl]butan-1-one
CID 10384904
bis[2-[3-butanoyl-4-(2-methylanilino)quinolin-8-yl]oxyethyl] carbonate
CID 154825435
1-[4-(2-methoxyanilino)-8-methylquinolin-3-yl]butan-1-one
CID 10246288
bis[2-[3-butanoyl-4-(2-methylanilino)quinolin-8-yl]oxyethyl] propanedioate
CID 67785783
[8-(hydroxymethyl)-4-(2-methylanilino)quinolin-3-yl]-piperidin-1-ylmethanone
CID 25072332
1-[4-[2-(hydroxymethyl)anilino]-8-methoxyquinolin-3-yl]butan-1-one
CID 10405610
1-[8-amino-4-(2,6-dimethylanilino)quinolin-3-yl]butan-1-one
CID 10449501
1-[4-(2-methylanilino)-8-(3-propylsulfanylpropoxy)quinolin-3-yl]propan-1-one
CID 54548203
ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 13038439

Frequently Asked Questions

What is the IUPAC name of 1-[8-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-(2-methylanilino)quinolin-3-yl]butan-1-one?
The IUPAC name of 1-[8-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-(2-methylanilino)quinolin-3-yl]butan-1-one (CID 10342937) is 1-[8-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-(2-methylanilino)quinolin-3-yl]butan-1-one.
What is the SMILES notation for 1-[8-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-(2-methylanilino)quinolin-3-yl]butan-1-one?
The canonical SMILES for 1-[8-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-(2-methylanilino)quinolin-3-yl]butan-1-one is CCCC(=O)c1cnc2c(Cc3nc4ncccc4[nH]3)cccc2c1Nc1ccccc1C.
What is the InChIKey of 1-[8-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-(2-methylanilino)quinolin-3-yl]butan-1-one?
The InChIKey is IZMOGTGQJXMTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O/c1-3-8-23(33)20-16-29-25-18(15-24-30-22-13-7-14-28-27(22)32-24)10-6-11-19(25)26(20)31-21-12-5-4-9-17(21)2/h4-7,9-14,16H,3,8,15H2,1-2H3,(H,29,31)(H,28,30,32).
What are the key properties of 1-[8-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-(2-methylanilino)quinolin-3-yl]butan-1-one?
1-[8-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-(2-methylanilino)quinolin-3-yl]butan-1-one has a molecular weight of 435.53 g/mol, XLogP of 6.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-(2-methylanilino)quinolin-3-yl]butan-1-one is sourced from PubChem (CID 10342937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).