N-(9-ethylcarbazol-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide

C29H22N4O — CID 2330776

IUPACN-(9-ethylcarbazol-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)c3cc(-c4ccncc4)nc4ccccc34)ccc21
InChIInChI=1S/C29H22N4O/c1-2-33-27-10-6-4-8-22(27)23-17-20(11-12-28(23)33)31-29(34)24-18-26(19-13-15-30-16-14-19)32-25-9-5-3-7-21(24)25/h3-18H,2H2,1H3,(H,31,34)
InChIKeyKLSPIOCMALPVRS-UHFFFAOYSA-N
MW442.52 g/mol
LogP6.68
Rot. Bonds4

About N-(9-ethylcarbazol-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide

N-(9-ethylcarbazol-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 2330776) has the molecular formula C29H22N4O and a molecular weight of 442.52 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID2330776
Molecular FormulaC29H22N4O
Molecular Weight442.52 g/mol
Exact Mass442.18
IUPAC NameN-(9-ethylcarbazol-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)c3cc(-c4ccncc4)nc4ccccc34)ccc21
InChIInChI=1S/C29H22N4O/c1-2-33-27-10-6-4-8-22(27)23-17-20(11-12-28(23)33)31-29(34)24-18-26(19-13-15-30-16-14-19)32-25-9-5-3-7-21(24)25/h3-18H,2H2,1H3,(H,31,34)
InChIKeyKLSPIOCMALPVRS-UHFFFAOYSA-N
XLogP6.68
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2339769
[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 4835035
N-[4-(propylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 21227643
N-(4-phenylmethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 1261334
N-(2-methyl-1,3-benzoxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 41173034
N-(9-ethylcarbazol-3-yl)-2-fluorobenzamide
CID 3128405
N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 167753556
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
N-[(2S)-pentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 25337304
N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 46920240
N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 26289344

Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide (CID 2330776) is N-(9-ethylcarbazol-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide is CCn1c2ccccc2c2cc(NC(=O)c3cc(-c4ccncc4)nc4ccccc34)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is KLSPIOCMALPVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N4O/c1-2-33-27-10-6-4-8-22(27)23-17-20(11-12-28(23)33)31-29(34)24-18-26(19-13-15-30-16-14-19)32-25-9-5-3-7-21(24)25/h3-18H,2H2,1H3,(H,31,34).
What are the key properties of N-(9-ethylcarbazol-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
N-(9-ethylcarbazol-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 6.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 2330776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).