2-[4-[3-[3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

C29H25N3O5 — CID 58905274

IUPAC2-[4-[3-[3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1ccc(-c2cccc(-n3cc(C(=O)N4CCOCC4)c(=O)c4cccnc43)c2)cc1
InChIInChI=1S/C29H25N3O5/c33-26-22-5-2-10-30-27(22)32(17-25(26)28(34)31-11-13-37-14-12-31)21-4-1-3-20(15-21)18-6-8-19(9-7-18)23-16-24(23)29(35)36/h1-10,15,17,23-24H,11-14,16H2,(H,35,36)
InChIKeyAYEYUQJGEKTWIU-UHFFFAOYSA-N
MW495.54 g/mol
LogP3.71
Rot. Bonds5

About 2-[4-[3-[3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

2-[4-[3-[3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 58905274) has the molecular formula C29H25N3O5 and a molecular weight of 495.54 g/mol. Its IUPAC name is 2-[4-[3-[3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-[3-[3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
PubChem CID58905274
Molecular FormulaC29H25N3O5
Molecular Weight495.54 g/mol
Exact Mass495.18
IUPAC Name2-[4-[3-[3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1ccc(-c2cccc(-n3cc(C(=O)N4CCOCC4)c(=O)c4cccnc43)c2)cc1
InChIInChI=1S/C29H25N3O5/c33-26-22-5-2-10-30-27(22)32(17-25(26)28(34)31-11-13-37-14-12-31)21-4-1-3-20(15-21)18-6-8-19(9-7-18)23-16-24(23)29(35)36/h1-10,15,17,23-24H,11-14,16H2,(H,35,36)
InChIKeyAYEYUQJGEKTWIU-UHFFFAOYSA-N
XLogP3.71
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.54
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

trans-(1R,2R)-2-[3-[3-[3-(cyclopropylcarbamoyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 69158736
trans-(1R,2R)-2-[4-[3-[3-(cyclopropylcarbamoyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]-2-methylphenyl]cyclopropane-1-carboxylic acid
CID 10480250
2-[4-[3-[3-[cyano(propyl)carbamoyl]-4-oxo-1,8-naphthyridin-1-yl]phenyl]-2-fluorophenyl]cyclopropane-1-carboxylic acid
CID 87728932
sodium trans-(1R,2R)-2-[4-[3-[3-(cyclopropylcarbamoyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]-2-fluorophenyl]cyclopropane-1-carboxylate
CID 23687341
N-cyclopropyl-4-oxo-1-(3-thiophen-3-ylphenyl)-1,8-naphthyridine-3-carboxamide
CID 10178284
N-cyclopropyl-1-[3-(1-hydroxypyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 91318440
ethyl 4-[3-[3-(cyclopropylcarbamoyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]benzoate
CID 69158388
N-cyclopropyl-1-(3-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 58870012
1-[3-[1-hydroxy-6-(2-hydroxypropan-2-yl)pyridin-1-ium-3-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 20805066
1-[3-[4-(3-acetyl-1-bicyclo[1.1.1]pentanyl)phenyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 70345467
N-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 10200871
N-cyclopropyl-1-[3-(6-methyl-1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 10136385

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[4-[3-[3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (CID 58905274) is 2-[4-[3-[3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[4-[3-[3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[4-[3-[3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1ccc(-c2cccc(-n3cc(C(=O)N4CCOCC4)c(=O)c4cccnc43)c2)cc1.
What is the InChIKey of 2-[4-[3-[3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is AYEYUQJGEKTWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O5/c33-26-22-5-2-10-30-27(22)32(17-25(26)28(34)31-11-13-37-14-12-31)21-4-1-3-20(15-21)18-6-8-19(9-7-18)23-16-24(23)29(35)36/h1-10,15,17,23-24H,11-14,16H2,(H,35,36).
What are the key properties of 2-[4-[3-[3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
2-[4-[3-[3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 495.54 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 58905274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).