[4-[[[2-[4-(aminomethyl)phenyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid

C26H30N4O3 — CID 68875975

IUPAC[4-[[[2-[4-(aminomethyl)phenyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid
SMILESNCc1ccc(-c2cc(C(=O)NCC3CCC(CNC(=O)O)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C26H30N4O3/c27-14-17-9-11-20(12-10-17)24-13-22(21-3-1-2-4-23(21)30-24)25(31)28-15-18-5-7-19(8-6-18)16-29-26(32)33/h1-4,9-13,18-19,29H,5-8,14-16,27H2,(H,28,31)(H,32,33)
InChIKeyYPSCJHWXIJAEOE-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.16
Rot. Bonds7

About [4-[[[2-[4-(aminomethyl)phenyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid

[4-[[[2-[4-(aminomethyl)phenyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid (PubChem CID 68875975) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is [4-[[[2-[4-(aminomethyl)phenyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid.

Molecular Properties

Compound Name[4-[[[2-[4-(aminomethyl)phenyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid
PubChem CID68875975
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name[4-[[[2-[4-(aminomethyl)phenyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid
SMILESNCc1ccc(-c2cc(C(=O)NCC3CCC(CNC(=O)O)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C26H30N4O3/c27-14-17-9-11-20(12-10-17)24-13-22(21-3-1-2-4-23(21)30-24)25(31)28-15-18-5-7-19(8-6-18)16-29-26(32)33/h1-4,9-13,18-19,29H,5-8,14-16,27H2,(H,28,31)(H,32,33)
InChIKeyYPSCJHWXIJAEOE-UHFFFAOYSA-N
XLogP4.16
TPSA117.34 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze [4-[[[2-[4-(aminomethyl)phenyl]quinoline-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-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid
CID 69025406
2-(3-bromophenyl)-N-(cyclopropylmethyl)quinoline-4-carboxamide
CID 95756265
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-[3-[(carbamoylamino)methyl]phenyl]quinoline-4-carboxamide
CID 143825980
[4-[[[2-[6-(2-methoxyethylamino)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid
CID 69029071
N-(azetidin-3-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 162460260
[4-[[[2-[4-(aminomethyl)phenyl]-6-methylpyridine-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid
CID 69026157
2-(3-carbamoylphenyl)-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide
CID 70991240
[4-[[[2-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid
CID 69027830
2-[3-(methanesulfonamidomethyl)phenyl]-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide
CID 70991243
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 3414776
N-[3-(cyclopropylmethoxy)propyl]-2-phenylquinoline-4-carboxamide
CID 31850076
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494

Frequently Asked Questions

What is the IUPAC name of [4-[[[2-[4-(aminomethyl)phenyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid?
The IUPAC name of [4-[[[2-[4-(aminomethyl)phenyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid (CID 68875975) is [4-[[[2-[4-(aminomethyl)phenyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid.
What is the SMILES notation for [4-[[[2-[4-(aminomethyl)phenyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid?
The canonical SMILES for [4-[[[2-[4-(aminomethyl)phenyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid is NCc1ccc(-c2cc(C(=O)NCC3CCC(CNC(=O)O)CC3)c3ccccc3n2)cc1.
What is the InChIKey of [4-[[[2-[4-(aminomethyl)phenyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid?
The InChIKey is YPSCJHWXIJAEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c27-14-17-9-11-20(12-10-17)24-13-22(21-3-1-2-4-23(21)30-24)25(31)28-15-18-5-7-19(8-6-18)16-29-26(32)33/h1-4,9-13,18-19,29H,5-8,14-16,27H2,(H,28,31)(H,32,33).
What are the key properties of [4-[[[2-[4-(aminomethyl)phenyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid?
[4-[[[2-[4-(aminomethyl)phenyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid has a molecular weight of 446.55 g/mol, XLogP of 4.16, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[2-[4-(aminomethyl)phenyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid is sourced from PubChem (CID 68875975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).