N-methyl-8-phenyl-3-propan-2-ylquinolin-2-amine

C19H20N2 — CID 63525584

IUPACN-methyl-8-phenyl-3-propan-2-ylquinolin-2-amine
SMILESCNc1nc2c(-c3ccccc3)cccc2cc1C(C)C
InChIInChI=1S/C19H20N2/c1-13(2)17-12-15-10-7-11-16(14-8-5-4-6-9-14)18(15)21-19(17)20-3/h4-13H,1-3H3,(H,20,21)
InChIKeyLHIDQRJCJKMYBF-UHFFFAOYSA-N
MW276.38 g/mol
LogP5.07
Rot. Bonds3

About N-methyl-8-phenyl-3-propan-2-ylquinolin-2-amine

N-methyl-8-phenyl-3-propan-2-ylquinolin-2-amine (PubChem CID 63525584) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-methyl-8-phenyl-3-propan-2-ylquinolin-2-amine.

Molecular Properties

Compound NameN-methyl-8-phenyl-3-propan-2-ylquinolin-2-amine
PubChem CID63525584
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC NameN-methyl-8-phenyl-3-propan-2-ylquinolin-2-amine
SMILESCNc1nc2c(-c3ccccc3)cccc2cc1C(C)C
InChIInChI=1S/C19H20N2/c1-13(2)17-12-15-10-7-11-16(14-8-5-4-6-9-14)18(15)21-19(17)20-3/h4-13H,1-3H3,(H,20,21)
InChIKeyLHIDQRJCJKMYBF-UHFFFAOYSA-N
XLogP5.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-8-phenyl-3-propan-2-ylquinolin-2-amine?
The IUPAC name of N-methyl-8-phenyl-3-propan-2-ylquinolin-2-amine (CID 63525584) is N-methyl-8-phenyl-3-propan-2-ylquinolin-2-amine.
What is the SMILES notation for N-methyl-8-phenyl-3-propan-2-ylquinolin-2-amine?
The canonical SMILES for N-methyl-8-phenyl-3-propan-2-ylquinolin-2-amine is CNc1nc2c(-c3ccccc3)cccc2cc1C(C)C.
What is the InChIKey of N-methyl-8-phenyl-3-propan-2-ylquinolin-2-amine?
The InChIKey is LHIDQRJCJKMYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-13(2)17-12-15-10-7-11-16(14-8-5-4-6-9-14)18(15)21-19(17)20-3/h4-13H,1-3H3,(H,20,21).
What are the key properties of N-methyl-8-phenyl-3-propan-2-ylquinolin-2-amine?
N-methyl-8-phenyl-3-propan-2-ylquinolin-2-amine has a molecular weight of 276.38 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-phenyl-3-propan-2-ylquinolin-2-amine is sourced from PubChem (CID 63525584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).