[4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid

C24H26N4O3 — CID 69025406

IUPAC[4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid
SMILESO=C(O)NCC1CCC(CNC(=O)c2cc(-c3ccncc3)nc3ccccc23)CC1
InChIInChI=1S/C24H26N4O3/c29-23(26-14-16-5-7-17(8-6-16)15-27-24(30)31)20-13-22(18-9-11-25-12-10-18)28-21-4-2-1-3-19(20)21/h1-4,9-13,16-17,27H,5-8,14-15H2,(H,26,29)(H,30,31)
InChIKeyXLNVWAFSNFVMGN-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.10
Rot. Bonds6

About [4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid

[4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid (PubChem CID 69025406) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is [4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid.

Molecular Properties

Compound Name[4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid
PubChem CID69025406
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name[4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid
SMILESO=C(O)NCC1CCC(CNC(=O)c2cc(-c3ccncc3)nc3ccccc23)CC1
InChIInChI=1S/C24H26N4O3/c29-23(26-14-16-5-7-17(8-6-16)15-27-24(30)31)20-13-22(18-9-11-25-12-10-18)28-21-4-2-1-3-19(20)21/h1-4,9-13,16-17,27H,5-8,14-15H2,(H,26,29)(H,30,31)
InChIKeyXLNVWAFSNFVMGN-UHFFFAOYSA-N
XLogP4.10
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[[2-[4-(aminomethyl)phenyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid
CID 68875975
N-(azetidin-3-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 162460260
2-(3-bromophenyl)-N-(cyclopropylmethyl)quinoline-4-carboxamide
CID 95756265
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72882893
[4-[[[2-[6-(2-methoxyethylamino)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid
CID 69029071
N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46539313
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
2-(3-carbamoylphenyl)-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide
CID 70991240
N-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3457681
N-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42654572
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72868649

Frequently Asked Questions

What is the IUPAC name of [4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid?
The IUPAC name of [4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid (CID 69025406) is [4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid.
What is the SMILES notation for [4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid?
The canonical SMILES for [4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid is O=C(O)NCC1CCC(CNC(=O)c2cc(-c3ccncc3)nc3ccccc23)CC1.
What is the InChIKey of [4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid?
The InChIKey is XLNVWAFSNFVMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c29-23(26-14-16-5-7-17(8-6-16)15-27-24(30)31)20-13-22(18-9-11-25-12-10-18)28-21-4-2-1-3-19(20)21/h1-4,9-13,16-17,27H,5-8,14-15H2,(H,26,29)(H,30,31).
What are the key properties of [4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid?
[4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid has a molecular weight of 418.50 g/mol, XLogP of 4.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid is sourced from PubChem (CID 69025406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).