2-(nonylamino)-2-phenyl-1H-quinoline-4-carboxylic acid

C25H32N2O2 — CID 69320285

IUPAC2-(nonylamino)-2-phenyl-1H-quinoline-4-carboxylic acid
SMILESCCCCCCCCCNC1(c2ccccc2)C=C(C(=O)O)c2ccccc2N1
InChIInChI=1S/C25H32N2O2/c1-2-3-4-5-6-7-13-18-26-25(20-14-9-8-10-15-20)19-22(24(28)29)21-16-11-12-17-23(21)27-25/h8-12,14-17,19,26-27H,2-7,13,18H2,1H3,(H,28,29)
InChIKeyRMJRJLRKEPGSQO-UHFFFAOYSA-N
MW392.54 g/mol
LogP5.77
Rot. Bonds11

About 2-(nonylamino)-2-phenyl-1H-quinoline-4-carboxylic acid

2-(nonylamino)-2-phenyl-1H-quinoline-4-carboxylic acid (PubChem CID 69320285) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 2-(nonylamino)-2-phenyl-1H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(nonylamino)-2-phenyl-1H-quinoline-4-carboxylic acid
PubChem CID69320285
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name2-(nonylamino)-2-phenyl-1H-quinoline-4-carboxylic acid
SMILESCCCCCCCCCNC1(c2ccccc2)C=C(C(=O)O)c2ccccc2N1
InChIInChI=1S/C25H32N2O2/c1-2-3-4-5-6-7-13-18-26-25(20-14-9-8-10-15-20)19-22(24(28)29)21-16-11-12-17-23(21)27-25/h8-12,14-17,19,26-27H,2-7,13,18H2,1H3,(H,28,29)
InChIKeyRMJRJLRKEPGSQO-UHFFFAOYSA-N
XLogP5.77
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 55.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hexyl-2-phenyl-1H-indol-3-one
CID 132839339
2-(dodecylamino)oxycarbonylbenzoic acid
CID 139651025
3-ethyl-2-pentyl-2-phenyl-1H-quinazolin-4-one
CID 54778185
decane;phthalic acid
CID 158763790
2-(2-octylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid
CID 69466960
ethyl 4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate
CID 5177010
3-decyl-5,5-diphenylimidazolidine-2,4-dione
CID 11696827
3-hexyl-5,5-diphenylimidazolidine-2,4-dione
CID 24860362
N-hexyl-3-phenylprop-2-ynamide
CID 155936824
2-(tetradecylamino)benzoic acid
CID 15090293
2-(nonylcarbamoyl)benzoic acid
CID 177437719
2-(octacosylcarbamoyl)benzoic acid
CID 175036056

Frequently Asked Questions

What is the IUPAC name of 2-(nonylamino)-2-phenyl-1H-quinoline-4-carboxylic acid?
The IUPAC name of 2-(nonylamino)-2-phenyl-1H-quinoline-4-carboxylic acid (CID 69320285) is 2-(nonylamino)-2-phenyl-1H-quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(nonylamino)-2-phenyl-1H-quinoline-4-carboxylic acid?
The canonical SMILES for 2-(nonylamino)-2-phenyl-1H-quinoline-4-carboxylic acid is CCCCCCCCCNC1(c2ccccc2)C=C(C(=O)O)c2ccccc2N1.
What is the InChIKey of 2-(nonylamino)-2-phenyl-1H-quinoline-4-carboxylic acid?
The InChIKey is RMJRJLRKEPGSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-2-3-4-5-6-7-13-18-26-25(20-14-9-8-10-15-20)19-22(24(28)29)21-16-11-12-17-23(21)27-25/h8-12,14-17,19,26-27H,2-7,13,18H2,1H3,(H,28,29).
What are the key properties of 2-(nonylamino)-2-phenyl-1H-quinoline-4-carboxylic acid?
2-(nonylamino)-2-phenyl-1H-quinoline-4-carboxylic acid has a molecular weight of 392.54 g/mol, XLogP of 5.77, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(nonylamino)-2-phenyl-1H-quinoline-4-carboxylic acid is sourced from PubChem (CID 69320285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).