4-oxo-1-[(2-phenyl-1,3-benzoxazol-5-yl)carbamoyl]quinoline-3-carboxylic acid

C24H15N3O5 — CID 174519668

IUPAC4-oxo-1-[(2-phenyl-1,3-benzoxazol-5-yl)carbamoyl]quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)c2ccccc2c1=O
InChIInChI=1S/C24H15N3O5/c28-21-16-8-4-5-9-19(16)27(13-17(21)23(29)30)24(31)25-15-10-11-20-18(12-15)26-22(32-20)14-6-2-1-3-7-14/h1-13H,(H,25,31)(H,29,30)
InChIKeyIFLYZLYMPBROEE-UHFFFAOYSA-N
MW425.40 g/mol
LogP4.59
Rot. Bonds3

About 4-oxo-1-[(2-phenyl-1,3-benzoxazol-5-yl)carbamoyl]quinoline-3-carboxylic acid

4-oxo-1-[(2-phenyl-1,3-benzoxazol-5-yl)carbamoyl]quinoline-3-carboxylic acid (PubChem CID 174519668) has the molecular formula C24H15N3O5 and a molecular weight of 425.40 g/mol. Its IUPAC name is 4-oxo-1-[(2-phenyl-1,3-benzoxazol-5-yl)carbamoyl]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-[(2-phenyl-1,3-benzoxazol-5-yl)carbamoyl]quinoline-3-carboxylic acid
PubChem CID174519668
Molecular FormulaC24H15N3O5
Molecular Weight425.40 g/mol
Exact Mass425.10
IUPAC Name4-oxo-1-[(2-phenyl-1,3-benzoxazol-5-yl)carbamoyl]quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)c2ccccc2c1=O
InChIInChI=1S/C24H15N3O5/c28-21-16-8-4-5-9-19(16)27(13-17(21)23(29)30)24(31)25-15-10-11-20-18(12-15)26-22(32-20)14-6-2-1-3-7-14/h1-13H,(H,25,31)(H,29,30)
InChIKeyIFLYZLYMPBROEE-UHFFFAOYSA-N
XLogP4.59
TPSA114.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[3-(methanesulfonamido)phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid
CID 174519620
2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 3013315
2-fluoro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
CID 718625
N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 53356244
2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259648
5-bromo-2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
CID 1108422
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 746929
2,2-dimethyl-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]propanamide
CID 17099835
2-(benzylamino)-N-[4-[5-[[2-(benzylamino)acetyl]amino]-1,3-benzoxazol-2-yl]phenyl]acetamide
CID 3816476
2-naphthalen-1-yloxy-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 67473155
3,5-dichloro-2-methoxy-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
CID 4258037
2-chloro-N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 4663208

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-[(2-phenyl-1,3-benzoxazol-5-yl)carbamoyl]quinoline-3-carboxylic acid?
The IUPAC name of 4-oxo-1-[(2-phenyl-1,3-benzoxazol-5-yl)carbamoyl]quinoline-3-carboxylic acid (CID 174519668) is 4-oxo-1-[(2-phenyl-1,3-benzoxazol-5-yl)carbamoyl]quinoline-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1-[(2-phenyl-1,3-benzoxazol-5-yl)carbamoyl]quinoline-3-carboxylic acid?
The canonical SMILES for 4-oxo-1-[(2-phenyl-1,3-benzoxazol-5-yl)carbamoyl]quinoline-3-carboxylic acid is O=C(O)c1cn(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)c2ccccc2c1=O.
What is the InChIKey of 4-oxo-1-[(2-phenyl-1,3-benzoxazol-5-yl)carbamoyl]quinoline-3-carboxylic acid?
The InChIKey is IFLYZLYMPBROEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N3O5/c28-21-16-8-4-5-9-19(16)27(13-17(21)23(29)30)24(31)25-15-10-11-20-18(12-15)26-22(32-20)14-6-2-1-3-7-14/h1-13H,(H,25,31)(H,29,30).
What are the key properties of 4-oxo-1-[(2-phenyl-1,3-benzoxazol-5-yl)carbamoyl]quinoline-3-carboxylic acid?
4-oxo-1-[(2-phenyl-1,3-benzoxazol-5-yl)carbamoyl]quinoline-3-carboxylic acid has a molecular weight of 425.40 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-[(2-phenyl-1,3-benzoxazol-5-yl)carbamoyl]quinoline-3-carboxylic acid is sourced from PubChem (CID 174519668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).