6-(4-cyclopropylphenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide

C31H38N4O4 — CID 166831476

IUPAC6-(4-cyclopropylphenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2c(O)c3cc(-c4ccc(C5CC5)cc4)cnc3n(CCN3CCOCC3)c2=O)CC1
InChIInChI=1S/C31H38N4O4/c1-20-2-10-25(11-3-20)33-30(37)27-28(36)26-18-24(23-8-6-22(7-9-23)21-4-5-21)19-32-29(26)35(31(27)38)13-12-34-14-16-39-17-15-34/h6-9,18-21,25,36H,2-5,10-17H2,1H3,(H,33,37)
InChIKeyQQRIJGCAIGYTBI-UHFFFAOYSA-N
MW530.67 g/mol
LogP4.29
Rot. Bonds7

About 6-(4-cyclopropylphenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide

6-(4-cyclopropylphenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 166831476) has the molecular formula C31H38N4O4 and a molecular weight of 530.67 g/mol. Its IUPAC name is 6-(4-cyclopropylphenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-cyclopropylphenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID166831476
Molecular FormulaC31H38N4O4
Molecular Weight530.67 g/mol
Exact Mass530.29
IUPAC Name6-(4-cyclopropylphenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2c(O)c3cc(-c4ccc(C5CC5)cc4)cnc3n(CCN3CCOCC3)c2=O)CC1
InChIInChI=1S/C31H38N4O4/c1-20-2-10-25(11-3-20)33-30(37)27-28(36)26-18-24(23-8-6-22(7-9-23)21-4-5-21)19-32-29(26)35(31(27)38)13-12-34-14-16-39-17-15-34/h6-9,18-21,25,36H,2-5,10-17H2,1H3,(H,33,37)
InChIKeyQQRIJGCAIGYTBI-UHFFFAOYSA-N
XLogP4.29
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.67
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-hydroxy-N-[(3S)-3-methylcyclopentyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 167335719
6-(4-fluorophenyl)-N-hexyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;methanol
CID 167499653
4-hydroxy-6-(4-methoxyphenyl)-N-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 167499661
6-(4-fluorophenyl)-4-hydroxy-1-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide
CID 167499609
N-but-1-en-2-yl-6-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 166831159
6-(4-fluorophenyl)-4-hydroxy-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide
CID 167499613
N-ethenyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-6-pyridin-3-yl-1,8-naphthyridine-3-carboxamide
CID 166831390
5-(4-fluorophenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide
CID 175869727
1-[2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]ethyl]-4-hydroxy-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 167335685
N-(1-bicyclo[1.1.1]pentanyl)-2-[6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridin-3-yl]acetamide
CID 167499582
6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 166831308
N-(1-bicyclo[1.1.1]pentanyl)-6-cyclobutyl-4-hydroxy-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 167335609

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropylphenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 6-(4-cyclopropylphenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 166831476) is 6-(4-cyclopropylphenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-(4-cyclopropylphenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 6-(4-cyclopropylphenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is CC1CCC(NC(=O)c2c(O)c3cc(-c4ccc(C5CC5)cc4)cnc3n(CCN3CCOCC3)c2=O)CC1.
What is the InChIKey of 6-(4-cyclopropylphenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is QQRIJGCAIGYTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N4O4/c1-20-2-10-25(11-3-20)33-30(37)27-28(36)26-18-24(23-8-6-22(7-9-23)21-4-5-21)19-32-29(26)35(31(27)38)13-12-34-14-16-39-17-15-34/h6-9,18-21,25,36H,2-5,10-17H2,1H3,(H,33,37).
What are the key properties of 6-(4-cyclopropylphenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
6-(4-cyclopropylphenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 530.67 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopropylphenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 166831476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).