6-chloro-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-4-oxo-1H-quinoline-3-carboxamide

C24H24ClN3O4 — CID 166335105

IUPAC6-chloro-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c[nH]c3ccc(Cl)cc3c2=O)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C24H24ClN3O4/c1-32-21-10-8-16(12-20(21)28-23(30)14-5-3-2-4-6-14)27-24(31)18-13-26-19-9-7-15(25)11-17(19)22(18)29/h7-14H,2-6H2,1H3,(H,26,29)(H,27,31)(H,28,30)
InChIKeyBGDJARRFQFJGNM-UHFFFAOYSA-N
MW453.93 g/mol
LogP4.96
Rot. Bonds5

About 6-chloro-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-4-oxo-1H-quinoline-3-carboxamide

6-chloro-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 166335105) has the molecular formula C24H24ClN3O4 and a molecular weight of 453.93 g/mol. Its IUPAC name is 6-chloro-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID166335105
Molecular FormulaC24H24ClN3O4
Molecular Weight453.93 g/mol
Exact Mass453.15
IUPAC Name6-chloro-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c[nH]c3ccc(Cl)cc3c2=O)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C24H24ClN3O4/c1-32-21-10-8-16(12-20(21)28-23(30)14-5-3-2-4-6-14)27-24(31)18-13-26-19-9-7-15(25)11-17(19)22(18)29/h7-14H,2-6H2,1H3,(H,26,29)(H,27,31)(H,28,30)
InChIKeyBGDJARRFQFJGNM-UHFFFAOYSA-N
XLogP4.96
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.93
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-chloro-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-4-oxo-1H-quinoline-3-carboxamide (CID 166335105) is 6-chloro-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-chloro-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-4-oxo-1H-quinoline-3-carboxamide is COc1ccc(NC(=O)c2c[nH]c3ccc(Cl)cc3c2=O)cc1NC(=O)C1CCCCC1.
What is the InChIKey of 6-chloro-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is BGDJARRFQFJGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O4/c1-32-21-10-8-16(12-20(21)28-23(30)14-5-3-2-4-6-14)27-24(31)18-13-26-19-9-7-15(25)11-17(19)22(18)29/h7-14H,2-6H2,1H3,(H,26,29)(H,27,31)(H,28,30).
What are the key properties of 6-chloro-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-4-oxo-1H-quinoline-3-carboxamide?
6-chloro-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 453.93 g/mol, XLogP of 4.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 166335105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).