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

C25H26N2 — CID 153406520

IUPACN-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine
SMILESCC(C)c1cccc(C(C)C)c1Nc1cccc2ccc3cccnc3c12
InChIInChI=1S/C25H26N2/c1-16(2)20-10-6-11-21(17(3)4)25(20)27-22-12-5-8-18-13-14-19-9-7-15-26-24(19)23(18)22/h5-17,27H,1-4H3
InChIKeyXBBXZGAKUWLKCQ-UHFFFAOYSA-N
MW354.50 g/mol
LogP7.38
Rot. Bonds4

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

N-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine (PubChem CID 153406520) has the molecular formula C25H26N2 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine
PubChem CID153406520
Molecular FormulaC25H26N2
Molecular Weight354.50 g/mol
Exact Mass354.21
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine
SMILESCC(C)c1cccc(C(C)C)c1Nc1cccc2ccc3cccnc3c12
InChIInChI=1S/C25H26N2/c1-16(2)20-10-6-11-21(17(3)4)25(20)27-22-12-5-8-18-13-14-19-9-7-15-26-24(19)23(18)22/h5-17,27H,1-4H3
InChIKeyXBBXZGAKUWLKCQ-UHFFFAOYSA-N
XLogP7.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-di(propan-2-yl)-N-[2-(quinolin-8-yliminomethyl)phenyl]aniline
CID 102529108
benzo[h]quinolin-10-ylhydrazine
CID 126501298
N-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide
CID 19683991
2-N-[2,6-di(propan-2-yl)phenyl]-3-N-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2,3-diamine
CID 168763290
N-[2,6-di(propan-2-yl)phenyl]-2-(5-methylthiophen-3-yl)quinolin-8-amine
CID 71223813
3-N-(2-propan-2-ylphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112964734
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide
CID 108968465
N-[1-(2-methylphenyl)ethyl]quinolin-8-amine
CID 43191669
benzo[h]quinolin-10-olate
CID 101433150
N-propan-2-yl-3-quinolin-8-ylbutan-2-amine
CID 81224234
N-benzo[h]quinolin-10-yl-4-methoxybenzenesulfonamide
CID 102274855
N-methoxyquinolin-8-amine
CID 143696561

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine (CID 153406520) is N-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine is CC(C)c1cccc(C(C)C)c1Nc1cccc2ccc3cccnc3c12.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine?
The InChIKey is XBBXZGAKUWLKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2/c1-16(2)20-10-6-11-21(17(3)4)25(20)27-22-12-5-8-18-13-14-19-9-7-15-26-24(19)23(18)22/h5-17,27H,1-4H3.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine?
N-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine has a molecular weight of 354.50 g/mol, XLogP of 7.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine is sourced from PubChem (CID 153406520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).