2-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine

C25H26N2 — CID 172774587

IUPAC2-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine
SMILESCC(C)c1cccc(C(C)C)c1-c1ccc2ccc3cccc(N)c3c2n1
InChIInChI=1S/C25H26N2/c1-15(2)19-8-6-9-20(16(3)4)24(19)22-14-13-18-12-11-17-7-5-10-21(26)23(17)25(18)27-22/h5-16H,26H2,1-4H3
InChIKeyNKJLTONTBPMZOW-UHFFFAOYSA-N
MW354.50 g/mol
LogP6.88
Rot. Bonds3

About 2-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine

2-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine (PubChem CID 172774587) has the molecular formula C25H26N2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine.

Molecular Properties

Compound Name2-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine
PubChem CID172774587
Molecular FormulaC25H26N2
Molecular Weight354.50 g/mol
Exact Mass354.21
IUPAC Name2-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine
SMILESCC(C)c1cccc(C(C)C)c1-c1ccc2ccc3cccc(N)c3c2n1
InChIInChI=1S/C25H26N2/c1-15(2)19-8-6-9-20(16(3)4)24(19)22-14-13-18-12-11-17-7-5-10-21(26)23(17)25(18)27-22/h5-16H,26H2,1-4H3
InChIKeyNKJLTONTBPMZOW-UHFFFAOYSA-N
XLogP6.88
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine?
The IUPAC name of 2-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine (CID 172774587) is 2-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine.
What is the SMILES notation for 2-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine?
The canonical SMILES for 2-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine is CC(C)c1cccc(C(C)C)c1-c1ccc2ccc3cccc(N)c3c2n1.
What is the InChIKey of 2-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine?
The InChIKey is NKJLTONTBPMZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2/c1-15(2)19-8-6-9-20(16(3)4)24(19)22-14-13-18-12-11-17-7-5-10-21(26)23(17)25(18)27-22/h5-16H,26H2,1-4H3.
What are the key properties of 2-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine?
2-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine has a molecular weight of 354.50 g/mol, XLogP of 6.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine is sourced from PubChem (CID 172774587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).