2-(3-carbamoylphenyl)-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide

C26H30N4O2 — CID 70991240

IUPAC2-(3-carbamoylphenyl)-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide
SMILESCNCC1CCC(CNC(=O)c2cc(-c3cccc(C(N)=O)c3)nc3ccccc23)CC1
InChIInChI=1S/C26H30N4O2/c1-28-15-17-9-11-18(12-10-17)16-29-26(32)22-14-24(30-23-8-3-2-7-21(22)23)19-5-4-6-20(13-19)25(27)31/h2-8,13-14,17-18,28H,9-12,15-16H2,1H3,(H2,27,31)(H,29,32)
InChIKeyZBTTXUCKPSWMLC-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.76
Rot. Bonds7

About 2-(3-carbamoylphenyl)-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide

2-(3-carbamoylphenyl)-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide (PubChem CID 70991240) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-(3-carbamoylphenyl)-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-carbamoylphenyl)-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide
PubChem CID70991240
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name2-(3-carbamoylphenyl)-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide
SMILESCNCC1CCC(CNC(=O)c2cc(-c3cccc(C(N)=O)c3)nc3ccccc23)CC1
InChIInChI=1S/C26H30N4O2/c1-28-15-17-9-11-18(12-10-17)16-29-26(32)22-14-24(30-23-8-3-2-7-21(22)23)19-5-4-6-20(13-19)25(27)31/h2-8,13-14,17-18,28H,9-12,15-16H2,1H3,(H2,27,31)(H,29,32)
InChIKeyZBTTXUCKPSWMLC-UHFFFAOYSA-N
XLogP3.76
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(methanesulfonamidomethyl)phenyl]-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide
CID 70991243
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-[4-(aminomethyl)phenyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid
CID 68875975
N-(azetidin-3-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 162460260
[4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid
CID 69025406
N-[(3-carbamoylphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 32636575
N-[(3-carbamoylphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 32636581
N-[(3-carbamoylphenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide
CID 32637632
N-[3-(cyclopropylmethoxy)propyl]-2-phenylquinoline-4-carboxamide
CID 31850076
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone
CID 119542238
[4-[[[2-[6-(2-methoxyethylamino)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid
CID 69029071

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamoylphenyl)-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(3-carbamoylphenyl)-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide (CID 70991240) is 2-(3-carbamoylphenyl)-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-carbamoylphenyl)-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(3-carbamoylphenyl)-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide is CNCC1CCC(CNC(=O)c2cc(-c3cccc(C(N)=O)c3)nc3ccccc23)CC1.
What is the InChIKey of 2-(3-carbamoylphenyl)-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide?
The InChIKey is ZBTTXUCKPSWMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-28-15-17-9-11-18(12-10-17)16-29-26(32)22-14-24(30-23-8-3-2-7-21(22)23)19-5-4-6-20(13-19)25(27)31/h2-8,13-14,17-18,28H,9-12,15-16H2,1H3,(H2,27,31)(H,29,32).
What are the key properties of 2-(3-carbamoylphenyl)-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide?
2-(3-carbamoylphenyl)-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 3.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbamoylphenyl)-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide is sourced from PubChem (CID 70991240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).