2-phenylquinolin-4-amine;hydrate

C15H14N2O — CID 51057793

IUPAC2-phenylquinolin-4-amine;hydrate
SMILESNc1cc(-c2ccccc2)nc2ccccc12.O
InChIInChI=1S/C15H12N2.H2O/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;/h1-10H,(H2,16,17);1H2
InChIKeyIGYXMIOUKSYGLI-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.66
Rot. Bonds1

About 2-phenylquinolin-4-amine;hydrate

2-phenylquinolin-4-amine;hydrate (PubChem CID 51057793) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-phenylquinolin-4-amine;hydrate.

Molecular Properties

Compound Name2-phenylquinolin-4-amine;hydrate
PubChem CID51057793
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-phenylquinolin-4-amine;hydrate
SMILESNc1cc(-c2ccccc2)nc2ccccc12.O
InChIInChI=1S/C15H12N2.H2O/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;/h1-10H,(H2,16,17);1H2
InChIKeyIGYXMIOUKSYGLI-UHFFFAOYSA-N
XLogP2.66
TPSA70.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylquinolin-4-amine;hydrochloride
CID 134690731
2-phenyl-1,7-naphthyridin-4-amine
CID 11470076
2-(4-butoxyphenyl)quinolin-4-amine
CID 95493431
(2-phenylquinolin-4-yl)methanamine;hydrochloride
CID 82025622
4-(18F)fluoro-2-phenylquinoline
CID 155642613
2-(5-methylsulfanyl-3-pyridinyl)quinolin-4-amine
CID 91231622
2-methylquinolin-4-amine
CID 162035180
trimethyl-(2-phenylquinolin-4-yl)silane
CID 14530271
7-phenyl-1,6-naphthyridin-5-amine
CID 23467608
2-phenyl-6-phenylmethoxyquinolin-4-amine
CID 113232549
4-methyl-2-phenylbenzo[b][1,8]naphthyridin-5-amine
CID 151397277
2-(2-phenoxyphenyl)quinolin-4-amine
CID 175084364

Frequently Asked Questions

What is the IUPAC name of 2-phenylquinolin-4-amine;hydrate?
The IUPAC name of 2-phenylquinolin-4-amine;hydrate (CID 51057793) is 2-phenylquinolin-4-amine;hydrate.
What is the SMILES notation for 2-phenylquinolin-4-amine;hydrate?
The canonical SMILES for 2-phenylquinolin-4-amine;hydrate is Nc1cc(-c2ccccc2)nc2ccccc12.O.
What is the InChIKey of 2-phenylquinolin-4-amine;hydrate?
The InChIKey is IGYXMIOUKSYGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2.H2O/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;/h1-10H,(H2,16,17);1H2.
What are the key properties of 2-phenylquinolin-4-amine;hydrate?
2-phenylquinolin-4-amine;hydrate has a molecular weight of 238.29 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylquinolin-4-amine;hydrate is sourced from PubChem (CID 51057793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).