(1-phenylisoquinolin-5-yl)carbamic acid

C16H12N2O2 — CID 174960626

IUPAC(1-phenylisoquinolin-5-yl)carbamic acid
SMILESO=C(O)Nc1cccc2c(-c3ccccc3)nccc12
InChIInChI=1S/C16H12N2O2/c19-16(20)18-14-8-4-7-13-12(14)9-10-17-15(13)11-5-2-1-3-6-11/h1-10,18H,(H,19,20)
InChIKeyPCOWIPVSLGZZJQ-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.99
Rot. Bonds2

About (1-phenylisoquinolin-5-yl)carbamic acid

(1-phenylisoquinolin-5-yl)carbamic acid (PubChem CID 174960626) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is (1-phenylisoquinolin-5-yl)carbamic acid.

Molecular Properties

Compound Name(1-phenylisoquinolin-5-yl)carbamic acid
PubChem CID174960626
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name(1-phenylisoquinolin-5-yl)carbamic acid
SMILESO=C(O)Nc1cccc2c(-c3ccccc3)nccc12
InChIInChI=1S/C16H12N2O2/c19-16(20)18-14-8-4-7-13-12(14)9-10-17-15(13)11-5-2-1-3-6-11/h1-10,18H,(H,19,20)
InChIKeyPCOWIPVSLGZZJQ-UHFFFAOYSA-N
XLogP3.99
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1-phenylisoquinolin-5-yl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-phenyl-3-pyridinyl)carbamic acid
CID 67312997
2-(1-phenylisoquinolin-5-yl)acetic acid
CID 12851870
N-[5-(4-methylphenyl)naphthalen-1-yl]pyridine-2-carboxamide
CID 139242174
3-phenylpyrazine-2-carboxylate
CID 35549380
(4-methoxyquinolin-8-yl)carbamic acid
CID 155211747
5-[(2-aminoacetyl)amino]isoquinoline-1-carboxylic acid
CID 82571623
(2-pyridin-3-ylphenyl)carbamic acid
CID 174385651
(4-cyclopropylnaphthalen-1-yl)carbamic acid
CID 151361563
(2-methoxy-3-pyrimidin-2-ylphenyl)carbamic acid
CID 170166465
carbanide;iridium;1-phenylisoquinoline
CID 166502152
3-methyl-2-phenylpyridine-4-carboxylic acid
CID 83916989
11-hydroxy-1,19-bis(1-phenylisoquinolin-5-yl)nonadec-10-en-9-one
CID 157389411

Frequently Asked Questions

What is the IUPAC name of (1-phenylisoquinolin-5-yl)carbamic acid?
The IUPAC name of (1-phenylisoquinolin-5-yl)carbamic acid (CID 174960626) is (1-phenylisoquinolin-5-yl)carbamic acid.
What is the SMILES notation for (1-phenylisoquinolin-5-yl)carbamic acid?
The canonical SMILES for (1-phenylisoquinolin-5-yl)carbamic acid is O=C(O)Nc1cccc2c(-c3ccccc3)nccc12.
What is the InChIKey of (1-phenylisoquinolin-5-yl)carbamic acid?
The InChIKey is PCOWIPVSLGZZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-16(20)18-14-8-4-7-13-12(14)9-10-17-15(13)11-5-2-1-3-6-11/h1-10,18H,(H,19,20).
What are the key properties of (1-phenylisoquinolin-5-yl)carbamic acid?
(1-phenylisoquinolin-5-yl)carbamic acid has a molecular weight of 264.28 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylisoquinolin-5-yl)carbamic acid is sourced from PubChem (CID 174960626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).