N-phenyl-7-propan-2-ylquinolin-2-amine

C18H18N2 — CID 126500193

IUPACN-phenyl-7-propan-2-ylquinolin-2-amine
SMILESCC(C)c1ccc2ccc(Nc3ccccc3)nc2c1
InChIInChI=1S/C18H18N2/c1-13(2)15-9-8-14-10-11-18(20-17(14)12-15)19-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,19,20)
InChIKeyLHBCUUUQINGKBA-UHFFFAOYSA-N
MW262.36 g/mol
LogP5.10
Rot. Bonds3

About N-phenyl-7-propan-2-ylquinolin-2-amine

N-phenyl-7-propan-2-ylquinolin-2-amine (PubChem CID 126500193) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-phenyl-7-propan-2-ylquinolin-2-amine.

Molecular Properties

Compound NameN-phenyl-7-propan-2-ylquinolin-2-amine
PubChem CID126500193
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC NameN-phenyl-7-propan-2-ylquinolin-2-amine
SMILESCC(C)c1ccc2ccc(Nc3ccccc3)nc2c1
InChIInChI=1S/C18H18N2/c1-13(2)15-9-8-14-10-11-18(20-17(14)12-15)19-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,19,20)
InChIKeyLHBCUUUQINGKBA-UHFFFAOYSA-N
XLogP5.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.36
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-7-propan-2-ylquinolin-2-amine?
The IUPAC name of N-phenyl-7-propan-2-ylquinolin-2-amine (CID 126500193) is N-phenyl-7-propan-2-ylquinolin-2-amine.
What is the SMILES notation for N-phenyl-7-propan-2-ylquinolin-2-amine?
The canonical SMILES for N-phenyl-7-propan-2-ylquinolin-2-amine is CC(C)c1ccc2ccc(Nc3ccccc3)nc2c1.
What is the InChIKey of N-phenyl-7-propan-2-ylquinolin-2-amine?
The InChIKey is LHBCUUUQINGKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-13(2)15-9-8-14-10-11-18(20-17(14)12-15)19-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,19,20).
What are the key properties of N-phenyl-7-propan-2-ylquinolin-2-amine?
N-phenyl-7-propan-2-ylquinolin-2-amine has a molecular weight of 262.36 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-7-propan-2-ylquinolin-2-amine is sourced from PubChem (CID 126500193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).