[4-[[3-(cyclopropanecarbonyl)-6-(4-hydroxy-3-methoxyphenyl)quinolin-4-yl]amino]cyclohexyl]carbamic acid

C27H29N3O5 — CID 66716011

IUPAC[4-[[3-(cyclopropanecarbonyl)-6-(4-hydroxy-3-methoxyphenyl)quinolin-4-yl]amino]cyclohexyl]carbamic acid
SMILESCOc1cc(-c2ccc3ncc(C(=O)C4CC4)c(NC4CCC(NC(=O)O)CC4)c3c2)ccc1O
InChIInChI=1S/C27H29N3O5/c1-35-24-13-17(5-11-23(24)31)16-4-10-22-20(12-16)25(21(14-28-22)26(32)15-2-3-15)29-18-6-8-19(9-7-18)30-27(33)34/h4-5,10-15,18-19,30-31H,2-3,6-9H2,1H3,(H,28,29)(H,33,34)
InChIKeyZAMPIBPGWPFNCK-UHFFFAOYSA-N
MW475.55 g/mol
LogP5.20
Rot. Bonds7

About [4-[[3-(cyclopropanecarbonyl)-6-(4-hydroxy-3-methoxyphenyl)quinolin-4-yl]amino]cyclohexyl]carbamic acid

[4-[[3-(cyclopropanecarbonyl)-6-(4-hydroxy-3-methoxyphenyl)quinolin-4-yl]amino]cyclohexyl]carbamic acid (PubChem CID 66716011) has the molecular formula C27H29N3O5 and a molecular weight of 475.55 g/mol. Its IUPAC name is [4-[[3-(cyclopropanecarbonyl)-6-(4-hydroxy-3-methoxyphenyl)quinolin-4-yl]amino]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[[3-(cyclopropanecarbonyl)-6-(4-hydroxy-3-methoxyphenyl)quinolin-4-yl]amino]cyclohexyl]carbamic acid
PubChem CID66716011
Molecular FormulaC27H29N3O5
Molecular Weight475.55 g/mol
Exact Mass475.21
IUPAC Name[4-[[3-(cyclopropanecarbonyl)-6-(4-hydroxy-3-methoxyphenyl)quinolin-4-yl]amino]cyclohexyl]carbamic acid
SMILESCOc1cc(-c2ccc3ncc(C(=O)C4CC4)c(NC4CCC(NC(=O)O)CC4)c3c2)ccc1O
InChIInChI=1S/C27H29N3O5/c1-35-24-13-17(5-11-23(24)31)16-4-10-22-20(12-16)25(21(14-28-22)26(32)15-2-3-15)29-18-6-8-19(9-7-18)30-27(33)34/h4-5,10-15,18-19,30-31H,2-3,6-9H2,1H3,(H,28,29)(H,33,34)
InChIKeyZAMPIBPGWPFNCK-UHFFFAOYSA-N
XLogP5.20
TPSA120.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.55
LogP ≤ 55.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [4-[[3-(cyclopropanecarbonyl)-6-(4-hydroxy-3-methoxyphenyl)quinolin-4-yl]amino]cyclohexyl]carbamic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(cyclopropanecarbonyl)-6-(4-hydroxy-3-methoxyphenyl)quinolin-4-yl]amino]cyclohexyl]carbamic acid?
The IUPAC name of [4-[[3-(cyclopropanecarbonyl)-6-(4-hydroxy-3-methoxyphenyl)quinolin-4-yl]amino]cyclohexyl]carbamic acid (CID 66716011) is [4-[[3-(cyclopropanecarbonyl)-6-(4-hydroxy-3-methoxyphenyl)quinolin-4-yl]amino]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[[3-(cyclopropanecarbonyl)-6-(4-hydroxy-3-methoxyphenyl)quinolin-4-yl]amino]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[[3-(cyclopropanecarbonyl)-6-(4-hydroxy-3-methoxyphenyl)quinolin-4-yl]amino]cyclohexyl]carbamic acid is COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(NC4CCC(NC(=O)O)CC4)c3c2)ccc1O.
What is the InChIKey of [4-[[3-(cyclopropanecarbonyl)-6-(4-hydroxy-3-methoxyphenyl)quinolin-4-yl]amino]cyclohexyl]carbamic acid?
The InChIKey is ZAMPIBPGWPFNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O5/c1-35-24-13-17(5-11-23(24)31)16-4-10-22-20(12-16)25(21(14-28-22)26(32)15-2-3-15)29-18-6-8-19(9-7-18)30-27(33)34/h4-5,10-15,18-19,30-31H,2-3,6-9H2,1H3,(H,28,29)(H,33,34).
What are the key properties of [4-[[3-(cyclopropanecarbonyl)-6-(4-hydroxy-3-methoxyphenyl)quinolin-4-yl]amino]cyclohexyl]carbamic acid?
[4-[[3-(cyclopropanecarbonyl)-6-(4-hydroxy-3-methoxyphenyl)quinolin-4-yl]amino]cyclohexyl]carbamic acid has a molecular weight of 475.55 g/mol, XLogP of 5.20, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(cyclopropanecarbonyl)-6-(4-hydroxy-3-methoxyphenyl)quinolin-4-yl]amino]cyclohexyl]carbamic acid is sourced from PubChem (CID 66716011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).