methyl 4-[[5-[(4-anilinophenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate

C29H23N5O3 — CID 170005441

IUPACmethyl 4-[[5-[(4-anilinophenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Nc5ccccc5)cc4)cn3)c2c1
InChIInChI=1S/C29H23N5O3/c1-37-29(36)19-7-13-25-24(17-19)26(15-16-30-25)34-27-14-8-20(18-31-27)28(35)33-23-11-9-22(10-12-23)32-21-5-3-2-4-6-21/h2-18,32H,1H3,(H,33,35)(H,30,31,34)
InChIKeyQKPQLKXDBPTIHG-UHFFFAOYSA-N
MW489.54 g/mol
LogP6.16
Rot. Bonds7

About methyl 4-[[5-[(4-anilinophenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate

methyl 4-[[5-[(4-anilinophenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate (PubChem CID 170005441) has the molecular formula C29H23N5O3 and a molecular weight of 489.54 g/mol. Its IUPAC name is methyl 4-[[5-[(4-anilinophenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[5-[(4-anilinophenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate
PubChem CID170005441
Molecular FormulaC29H23N5O3
Molecular Weight489.54 g/mol
Exact Mass489.18
IUPAC Namemethyl 4-[[5-[(4-anilinophenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Nc5ccccc5)cc4)cn3)c2c1
InChIInChI=1S/C29H23N5O3/c1-37-29(36)19-7-13-25-24(17-19)26(15-16-30-25)34-27-14-8-20(18-31-27)28(35)33-23-11-9-22(10-12-23)32-21-5-3-2-4-6-21/h2-18,32H,1H3,(H,33,35)(H,30,31,34)
InChIKeyQKPQLKXDBPTIHG-UHFFFAOYSA-N
XLogP6.16
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.54
LogP ≤ 56.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[5-[(4-anilinophenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate with MolForge

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Related Compounds

methyl 4-[[5-[[4-(pyridin-4-ylamino)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate
CID 130249565
N-(5-anilino-2-pyridinyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide
CID 157044230
methyl 4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylate
CID 157189950
methyl 3-[[6-(4-methylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162269
methyl 4-[[6-(2-methoxyanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163865
6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]pyridine-3-carboxamide
CID 157044051
N-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]benzamide
CID 142700397
N-phenyl-4-(quinolin-4-ylamino)benzamide
CID 58472461
N-(4-anilinophenyl)-4-[(6-ethynylquinolin-4-yl)amino]benzamide
CID 170005207
methyl 1-(4-benzamidoanilino)-6-oxo-5H-benzo[c][1,8]naphthyridine-9-carboxylate
CID 58168157
6-[(6-acetylquinolin-4-yl)amino]pyridine-3-carboxylic acid
CID 157043966
methyl 4-[[6-(2-propan-2-ylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163018

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-[(4-anilinophenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate?
The IUPAC name of methyl 4-[[5-[(4-anilinophenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate (CID 170005441) is methyl 4-[[5-[(4-anilinophenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate.
What is the SMILES notation for methyl 4-[[5-[(4-anilinophenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate?
The canonical SMILES for methyl 4-[[5-[(4-anilinophenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate is COC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Nc5ccccc5)cc4)cn3)c2c1.
What is the InChIKey of methyl 4-[[5-[(4-anilinophenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate?
The InChIKey is QKPQLKXDBPTIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N5O3/c1-37-29(36)19-7-13-25-24(17-19)26(15-16-30-25)34-27-14-8-20(18-31-27)28(35)33-23-11-9-22(10-12-23)32-21-5-3-2-4-6-21/h2-18,32H,1H3,(H,33,35)(H,30,31,34).
What are the key properties of methyl 4-[[5-[(4-anilinophenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate?
methyl 4-[[5-[(4-anilinophenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate has a molecular weight of 489.54 g/mol, XLogP of 6.16, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-[(4-anilinophenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate is sourced from PubChem (CID 170005441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).