2-amino-4-phenylmethoxyquinoline-3-carbonitrile

C17H13N3O — CID 154856659

IUPAC2-amino-4-phenylmethoxyquinoline-3-carbonitrile
SMILESN#Cc1c(N)nc2ccccc2c1OCc1ccccc1
InChIInChI=1S/C17H13N3O/c18-10-14-16(21-11-12-6-2-1-3-7-12)13-8-4-5-9-15(13)20-17(14)19/h1-9H,11H2,(H2,19,20)
InChIKeyLPNUAKIBOSKJBN-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.27
Rot. Bonds3

About 2-amino-4-phenylmethoxyquinoline-3-carbonitrile

2-amino-4-phenylmethoxyquinoline-3-carbonitrile (PubChem CID 154856659) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-amino-4-phenylmethoxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-phenylmethoxyquinoline-3-carbonitrile
PubChem CID154856659
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name2-amino-4-phenylmethoxyquinoline-3-carbonitrile
SMILESN#Cc1c(N)nc2ccccc2c1OCc1ccccc1
InChIInChI=1S/C17H13N3O/c18-10-14-16(21-11-12-6-2-1-3-7-12)13-8-4-5-9-15(13)20-17(14)19/h1-9H,11H2,(H2,19,20)
InChIKeyLPNUAKIBOSKJBN-UHFFFAOYSA-N
XLogP3.27
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-phenylmethoxyquinoline-3-carbonitrile 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-phenylmethoxy-[1,3]thiazolo[4,5-c]quinolin-4-amine
CID 67393108
2,4-diamino-6-(2-phenylmethoxyphenyl)pyrimidine-5-carbonitrile
CID 169396055
2-amino-4-[(1S)-cyclohex-2-en-1-yl]oxyquinoline-3-carbonitrile
CID 165368502
2-amino-5,6-dimethyl-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 4633632
2,4-diamino-6-(2,6-dimethyl-4-phenylmethoxyphenyl)pyrimidine-5-carbonitrile
CID 169398835
2-amino-5,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 4633633
5-amino-1-benzyl-3-phenylmethoxypyrazole-4-carbonitrile
CID 100764115
(3-methyl-4-phenylmethoxyquinolin-2-yl)methanol
CID 68508380
4-amino-6-(3-methoxy-4-phenylmethoxyphenyl)-2-(1-sulfanylethyl)pyrimidine-5-carbonitrile
CID 57145386
2-amino-4-morpholin-4-ylquinoline-3-carbonitrile
CID 10610954
5-amino-1-ethyl-3-phenylmethoxypyrazole-4-carbonitrile
CID 100762021
3-amino-4-phenyl-2-phenylmethoxybenzonitrile
CID 91072993

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenylmethoxyquinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-phenylmethoxyquinoline-3-carbonitrile (CID 154856659) is 2-amino-4-phenylmethoxyquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-phenylmethoxyquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-phenylmethoxyquinoline-3-carbonitrile is N#Cc1c(N)nc2ccccc2c1OCc1ccccc1.
What is the InChIKey of 2-amino-4-phenylmethoxyquinoline-3-carbonitrile?
The InChIKey is LPNUAKIBOSKJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c18-10-14-16(21-11-12-6-2-1-3-7-12)13-8-4-5-9-15(13)20-17(14)19/h1-9H,11H2,(H2,19,20).
What are the key properties of 2-amino-4-phenylmethoxyquinoline-3-carbonitrile?
2-amino-4-phenylmethoxyquinoline-3-carbonitrile has a molecular weight of 275.31 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenylmethoxyquinoline-3-carbonitrile is sourced from PubChem (CID 154856659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).