N-(2-phenyloxan-4-yl)quinolin-2-amine

C20H20N2O — CID 133474130

IUPACN-(2-phenyloxan-4-yl)quinolin-2-amine
SMILESc1ccc(C2CC(Nc3ccc4ccccc4n3)CCO2)cc1
InChIInChI=1S/C20H20N2O/c1-2-7-16(8-3-1)19-14-17(12-13-23-19)21-20-11-10-15-6-4-5-9-18(15)22-20/h1-11,17,19H,12-14H2,(H,21,22)
InChIKeyRVLIMJJOICDWTP-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.57
Rot. Bonds3

About N-(2-phenyloxan-4-yl)quinolin-2-amine

N-(2-phenyloxan-4-yl)quinolin-2-amine (PubChem CID 133474130) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(2-phenyloxan-4-yl)quinolin-2-amine.

Molecular Properties

Compound NameN-(2-phenyloxan-4-yl)quinolin-2-amine
PubChem CID133474130
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC NameN-(2-phenyloxan-4-yl)quinolin-2-amine
SMILESc1ccc(C2CC(Nc3ccc4ccccc4n3)CCO2)cc1
InChIInChI=1S/C20H20N2O/c1-2-7-16(8-3-1)19-14-17(12-13-23-19)21-20-11-10-15-6-4-5-9-18(15)22-20/h1-11,17,19H,12-14H2,(H,21,22)
InChIKeyRVLIMJJOICDWTP-UHFFFAOYSA-N
XLogP4.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-phenyloxan-4-yl)quinolin-2-amine 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

6-chloro-N-(2-phenyloxan-4-yl)pyrazin-2-amine
CID 133474252
4,6-dimethyl-N-(2-phenyloxan-4-yl)pyrimidin-2-amine
CID 133474071
1-N-methyl-4-N-quinolin-2-ylcyclohexane-1,4-diamine
CID 23026816
N-(2,2-dimethyloxan-4-yl)quinolin-2-amine
CID 115563852
3-cyclopropyl-N-(2-phenyloxan-4-yl)-1,2,4-thiadiazol-5-amine
CID 133474148
4-phenyl-N-(2-phenyloxan-4-yl)-1,3-thiazol-2-amine
CID 133474166
N-(2-phenyloxan-4-yl)-6-piperidin-1-ylpyrimidin-4-amine
CID 133474028
4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine
CID 124595523
3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine
CID 133475832
5-bromo-N-(2-phenyloxan-4-yl)pyridin-3-amine
CID 133474083
4-phenoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine
CID 167852738
3-(4-methylphenyl)-N-(2-phenyloxan-4-yl)-1,2,4-oxadiazol-5-amine
CID 133474067

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyloxan-4-yl)quinolin-2-amine?
The IUPAC name of N-(2-phenyloxan-4-yl)quinolin-2-amine (CID 133474130) is N-(2-phenyloxan-4-yl)quinolin-2-amine.
What is the SMILES notation for N-(2-phenyloxan-4-yl)quinolin-2-amine?
The canonical SMILES for N-(2-phenyloxan-4-yl)quinolin-2-amine is c1ccc(C2CC(Nc3ccc4ccccc4n3)CCO2)cc1.
What is the InChIKey of N-(2-phenyloxan-4-yl)quinolin-2-amine?
The InChIKey is RVLIMJJOICDWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-2-7-16(8-3-1)19-14-17(12-13-23-19)21-20-11-10-15-6-4-5-9-18(15)22-20/h1-11,17,19H,12-14H2,(H,21,22).
What are the key properties of N-(2-phenyloxan-4-yl)quinolin-2-amine?
N-(2-phenyloxan-4-yl)quinolin-2-amine has a molecular weight of 304.39 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyloxan-4-yl)quinolin-2-amine is sourced from PubChem (CID 133474130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).