N-(2-aminophenyl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide

C22H25N3O4 — CID 11509456

IUPACN-(2-aminophenyl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
SMILESCCCCCOc1c(OC)ccc2cc(C(=O)Nc3ccccc3N)c(=O)[nH]c12
InChIInChI=1S/C22H25N3O4/c1-3-4-7-12-29-20-18(28-2)11-10-14-13-15(22(27)25-19(14)20)21(26)24-17-9-6-5-8-16(17)23/h5-6,8-11,13H,3-4,7,12,23H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyGOXSJDZTCJSUKK-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.94
Rot. Bonds8

About N-(2-aminophenyl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide

N-(2-aminophenyl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide (PubChem CID 11509456) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(2-aminophenyl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
PubChem CID11509456
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-(2-aminophenyl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
SMILESCCCCCOc1c(OC)ccc2cc(C(=O)Nc3ccccc3N)c(=O)[nH]c12
InChIInChI=1S/C22H25N3O4/c1-3-4-7-12-29-20-18(28-2)11-10-14-13-15(22(27)25-19(14)20)21(26)24-17-9-6-5-8-16(17)23/h5-6,8-11,13H,3-4,7,12,23H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyGOXSJDZTCJSUKK-UHFFFAOYSA-N
XLogP3.94
TPSA106.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
CID 11573063
(2R)-2-[(7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carbonyl)amino]-3-phenylpropanoic acid
CID 142970414
N-(1,3-benzodioxol-5-yl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
CID 91347123
N-[2-(4-aminophenyl)ethyl]-8-butoxy-7-methoxy-2-oxo-1H-quinoline-3-carboxamide
CID 70685024
benzyl 1-[(7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carbonyl)amino]cyclopentane-1-carboxylate
CID 11306720
N-[2-(3,4-dihydroxyphenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
CID 11626344
N-tert-butyl-7-methoxy-2-oxo-8-phenacyloxy-1H-quinoline-3-carboxamide
CID 142970370
8-butoxy-N-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]-7-methoxy-2-oxo-1H-quinoline-3-carboxamide
CID 56673163
2-oxo-8-pentoxy-1H-quinoline-3-carboxylic acid
CID 141025690
N-tert-butyl-7-methoxy-2-oxo-8-(2-phenylmethoxypentoxy)-1H-quinoline-3-carboxamide
CID 142969996
2-butoxy-4-methoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 69361719
N-tert-butyl-7-methoxy-2-oxo-8-[2-oxo-2-(propan-2-ylamino)ethoxy]-1H-quinoline-3-carboxamide
CID 142970240

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide?
The IUPAC name of N-(2-aminophenyl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide (CID 11509456) is N-(2-aminophenyl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide is CCCCCOc1c(OC)ccc2cc(C(=O)Nc3ccccc3N)c(=O)[nH]c12.
What is the InChIKey of N-(2-aminophenyl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide?
The InChIKey is GOXSJDZTCJSUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-3-4-7-12-29-20-18(28-2)11-10-14-13-15(22(27)25-19(14)20)21(26)24-17-9-6-5-8-16(17)23/h5-6,8-11,13H,3-4,7,12,23H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-(2-aminophenyl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide?
N-(2-aminophenyl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 3.94, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide is sourced from PubChem (CID 11509456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).