2,4-dimethyl-N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]pyridine-3-carboxamide

C25H23N5O2 — CID 67600616

IUPAC2,4-dimethyl-N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]pyridine-3-carboxamide
SMILESCc1ccnc(C)c1C(=O)Nc1cccc2c(NC(=O)Nc3ccccc3)c(C)cnc12
InChIInChI=1S/C25H23N5O2/c1-15-12-13-26-17(3)21(15)24(31)29-20-11-7-10-19-22(16(2)14-27-23(19)20)30-25(32)28-18-8-5-4-6-9-18/h4-14H,1-3H3,(H,29,31)(H2,27,28,30,32)
InChIKeyQSXOQOBMKYQCKZ-UHFFFAOYSA-N
MW425.49 g/mol
LogP5.45
Rot. Bonds4

About 2,4-dimethyl-N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]pyridine-3-carboxamide

2,4-dimethyl-N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]pyridine-3-carboxamide (PubChem CID 67600616) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2,4-dimethyl-N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]pyridine-3-carboxamide
PubChem CID67600616
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name2,4-dimethyl-N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]pyridine-3-carboxamide
SMILESCc1ccnc(C)c1C(=O)Nc1cccc2c(NC(=O)Nc3ccccc3)c(C)cnc12
InChIInChI=1S/C25H23N5O2/c1-15-12-13-26-17(3)21(15)24(31)29-20-11-7-10-19-22(16(2)14-27-23(19)20)30-25(32)28-18-8-5-4-6-9-18/h4-14H,1-3H3,(H,29,31)(H2,27,28,30,32)
InChIKeyQSXOQOBMKYQCKZ-UHFFFAOYSA-N
XLogP5.45
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 67600268
2,6-dichloro-N-(3-methyl-4-pyrimidin-2-ylsulfanylquinolin-8-yl)benzamide
CID 19592443
N-(4-acetamido-3-methylquinolin-8-yl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 139782579
2,6-dichloro-N-[3-methyl-4-[2-(propylamino)ethylamino]quinolin-8-yl]benzamide
CID 139782357
N-(4-hydrazinyl-3-methylquinolin-8-yl)-2-(trifluoromethyl)benzamide
CID 19592320
2-methyl-N-quinolin-8-ylnaphthalene-1-carboxamide
CID 132837940
2,6-dichloro-N-[3-methyl-4-(4-phenylimidazol-1-yl)quinolin-8-yl]benzamide
CID 139782382
N-[4-(2-benzoylhydrazinyl)-3-methylquinolin-8-yl]-2-(trifluoromethyl)benzamide
CID 139782331
2,6-dichloro-N-(3,4-dichloroquinolin-8-yl)benzamide
CID 139782538
2,6-dichloro-N-[4-(3,4-dichlorophenoxy)-3-methylquinolin-8-yl]benzamide
CID 139782456
N-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide
CID 19592898
N-[3-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]pyridine-4-carboxamide
CID 139782439

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]pyridine-3-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]pyridine-3-carboxamide (CID 67600616) is 2,4-dimethyl-N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]pyridine-3-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]pyridine-3-carboxamide is Cc1ccnc(C)c1C(=O)Nc1cccc2c(NC(=O)Nc3ccccc3)c(C)cnc12.
What is the InChIKey of 2,4-dimethyl-N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]pyridine-3-carboxamide?
The InChIKey is QSXOQOBMKYQCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-15-12-13-26-17(3)21(15)24(31)29-20-11-7-10-19-22(16(2)14-27-23(19)20)30-25(32)28-18-8-5-4-6-9-18/h4-14H,1-3H3,(H,29,31)(H2,27,28,30,32).
What are the key properties of 2,4-dimethyl-N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]pyridine-3-carboxamide?
2,4-dimethyl-N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]pyridine-3-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 5.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67600616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).