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

C28H32N4O5 — CID 167499661

IUPAC4-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
SMILESCOc1ccc(-c2cnc3c(c2)c(O)c(C(=O)NC24CC(C2)[C@H]4C)c(=O)n3CCN2CCOCC2)cc1
InChIInChI=1S/C28H32N4O5/c1-17-20-14-28(17,15-20)30-26(34)23-24(33)22-13-19(18-3-5-21(36-2)6-4-18)16-29-25(22)32(27(23)35)8-7-31-9-11-37-12-10-31/h3-6,13,16-17,20,33H,7-12,14-15H2,1-2H3,(H,30,34)/t17-,20?,28?/m1/s1
InChIKeyTUOLADMXOBMSJT-RHTKXFFLSA-N
MW504.59 g/mol
LogP2.64
Rot. Bonds7

About 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

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 (PubChem CID 167499661) has the molecular formula C28H32N4O5 and a molecular weight of 504.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID167499661
Molecular FormulaC28H32N4O5
Molecular Weight504.59 g/mol
Exact Mass504.24
IUPAC Name4-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
SMILESCOc1ccc(-c2cnc3c(c2)c(O)c(C(=O)NC24CC(C2)[C@H]4C)c(=O)n3CCN2CCOCC2)cc1
InChIInChI=1S/C28H32N4O5/c1-17-20-14-28(17,15-20)30-26(34)23-24(33)22-13-19(18-3-5-21(36-2)6-4-18)16-29-25(22)32(27(23)35)8-7-31-9-11-37-12-10-31/h3-6,13,16-17,20,33H,7-12,14-15H2,1-2H3,(H,30,34)/t17-,20?,28?/m1/s1
InChIKeyTUOLADMXOBMSJT-RHTKXFFLSA-N
XLogP2.64
TPSA105.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.59
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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-cyclopropylphenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 166831476
6-(4-fluorophenyl)-N-hexyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;methanol
CID 167499653
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
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-(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
N-ethenyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-6-pyridin-3-yl-1,8-naphthyridine-3-carboxamide
CID 166831390
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
4-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 175869762
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 25176838
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 117088063
N-(1-bicyclo[1.1.1]pentanyl)-6-(4-cyanophenyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 167335596

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(-c2cnc3c(c2)c(O)c(C(=O)NC24CC(C2)[C@H]4C)c(=O)n3CCN2CCOCC2)cc1.
What is the InChIKey of 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?
The InChIKey is TUOLADMXOBMSJT-RHTKXFFLSA-N. The full InChI is InChI=1S/C28H32N4O5/c1-17-20-14-28(17,15-20)30-26(34)23-24(33)22-13-19(18-3-5-21(36-2)6-4-18)16-29-25(22)32(27(23)35)8-7-31-9-11-37-12-10-31/h3-6,13,16-17,20,33H,7-12,14-15H2,1-2H3,(H,30,34)/t17-,20?,28?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 504.59 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167499661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).