[4-[[[2-[6-(2-methoxyethylamino)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid

C27H33N5O4 — CID 69029071

IUPAC[4-[[[2-[6-(2-methoxyethylamino)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid
SMILESCOCCNc1ccc(-c2cc(C(=O)NCC3CCC(CNC(=O)O)CC3)c3ccccc3n2)cn1
InChIInChI=1S/C27H33N5O4/c1-36-13-12-28-25-11-10-20(17-29-25)24-14-22(21-4-2-3-5-23(21)32-24)26(33)30-15-18-6-8-19(9-7-18)16-31-27(34)35/h2-5,10-11,14,17-19,31H,6-9,12-13,15-16H2,1H3,(H,28,29)(H,30,33)(H,34,35)
InChIKeySDAOUUFOELFNIX-UHFFFAOYSA-N
MW491.59 g/mol
LogP4.16
Rot. Bonds10

About [4-[[[2-[6-(2-methoxyethylamino)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid

[4-[[[2-[6-(2-methoxyethylamino)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid (PubChem CID 69029071) has the molecular formula C27H33N5O4 and a molecular weight of 491.59 g/mol. Its IUPAC name is [4-[[[2-[6-(2-methoxyethylamino)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid.

Molecular Properties

Compound Name[4-[[[2-[6-(2-methoxyethylamino)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid
PubChem CID69029071
Molecular FormulaC27H33N5O4
Molecular Weight491.59 g/mol
Exact Mass491.25
IUPAC Name[4-[[[2-[6-(2-methoxyethylamino)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid
SMILESCOCCNc1ccc(-c2cc(C(=O)NCC3CCC(CNC(=O)O)CC3)c3ccccc3n2)cn1
InChIInChI=1S/C27H33N5O4/c1-36-13-12-28-25-11-10-20(17-29-25)24-14-22(21-4-2-3-5-23(21)32-24)26(33)30-15-18-6-8-19(9-7-18)16-31-27(34)35/h2-5,10-11,14,17-19,31H,6-9,12-13,15-16H2,1H3,(H,28,29)(H,30,33)(H,34,35)
InChIKeySDAOUUFOELFNIX-UHFFFAOYSA-N
XLogP4.16
TPSA125.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 54.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [4-[[[2-[6-(2-methoxyethylamino)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid with MolForge

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Related Compounds

[4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid
CID 69025406
[4-[[[2-[4-(aminomethyl)phenyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid
CID 68875975
[4-[[[2-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid
CID 69027830
tert-butyl-[[4-[[[2-[6-(1-hydroxypropan-2-ylamino)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamic acid
CID 68875253
tert-butyl-[[4-[[[2-(6-fluoro-3-pyridinyl)quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamic acid
CID 68877107
2-(3-bromophenyl)-N-(cyclopropylmethyl)quinoline-4-carboxamide
CID 95756265
N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518443
N-(azetidin-3-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 162460260
tert-butyl N-[[4-[[[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamate
CID 58001986
2-(3-carbamoylphenyl)-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide
CID 70991240
N-[3-(cyclopropylmethoxy)propyl]-2-phenylquinoline-4-carboxamide
CID 31850076
2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 2078342

Frequently Asked Questions

What is the IUPAC name of [4-[[[2-[6-(2-methoxyethylamino)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid?
The IUPAC name of [4-[[[2-[6-(2-methoxyethylamino)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid (CID 69029071) is [4-[[[2-[6-(2-methoxyethylamino)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid.
What is the SMILES notation for [4-[[[2-[6-(2-methoxyethylamino)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid?
The canonical SMILES for [4-[[[2-[6-(2-methoxyethylamino)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid is COCCNc1ccc(-c2cc(C(=O)NCC3CCC(CNC(=O)O)CC3)c3ccccc3n2)cn1.
What is the InChIKey of [4-[[[2-[6-(2-methoxyethylamino)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid?
The InChIKey is SDAOUUFOELFNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O4/c1-36-13-12-28-25-11-10-20(17-29-25)24-14-22(21-4-2-3-5-23(21)32-24)26(33)30-15-18-6-8-19(9-7-18)16-31-27(34)35/h2-5,10-11,14,17-19,31H,6-9,12-13,15-16H2,1H3,(H,28,29)(H,30,33)(H,34,35).
What are the key properties of [4-[[[2-[6-(2-methoxyethylamino)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid?
[4-[[[2-[6-(2-methoxyethylamino)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid has a molecular weight of 491.59 g/mol, XLogP of 4.16, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[2-[6-(2-methoxyethylamino)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid is sourced from PubChem (CID 69029071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).