4-bromo-N-tert-butyl-3-phenylquinolin-2-amine

C19H19BrN2 — CID 72702003

IUPAC4-bromo-N-tert-butyl-3-phenylquinolin-2-amine
SMILESCC(C)(C)Nc1nc2ccccc2c(Br)c1-c1ccccc1
InChIInChI=1S/C19H19BrN2/c1-19(2,3)22-18-16(13-9-5-4-6-10-13)17(20)14-11-7-8-12-15(14)21-18/h4-12H,1-3H3,(H,21,22)
InChIKeyNQYVBBAJOUQYSU-UHFFFAOYSA-N
MW355.28 g/mol
LogP5.87
Rot. Bonds2

About 4-bromo-N-tert-butyl-3-phenylquinolin-2-amine

4-bromo-N-tert-butyl-3-phenylquinolin-2-amine (PubChem CID 72702003) has the molecular formula C19H19BrN2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 4-bromo-N-tert-butyl-3-phenylquinolin-2-amine.

Molecular Properties

Compound Name4-bromo-N-tert-butyl-3-phenylquinolin-2-amine
PubChem CID72702003
Molecular FormulaC19H19BrN2
Molecular Weight355.28 g/mol
Exact Mass354.07
IUPAC Name4-bromo-N-tert-butyl-3-phenylquinolin-2-amine
SMILESCC(C)(C)Nc1nc2ccccc2c(Br)c1-c1ccccc1
InChIInChI=1S/C19H19BrN2/c1-19(2,3)22-18-16(13-9-5-4-6-10-13)17(20)14-11-7-8-12-15(14)21-18/h4-12H,1-3H3,(H,21,22)
InChIKeyNQYVBBAJOUQYSU-UHFFFAOYSA-N
XLogP5.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.28
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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6-Bromoquipazine
CID 130261
N-(3-bromophenyl)quinazolin-4-amine
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Quinazoline, 2,4-dianilino-
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6-bromo-N2-phenylquinazoline-2,4-diamine
CID 145998261
4-Methylquinolin-2-amine
CID 231935
6-Aminophenanthridine
CID 160547
6-bromo-N-m-tolylquinazolin-4-amine
CID 720633
4-N-(3-bromophenyl)quinazoline-4,5-diamine
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4,6-dimethyl-N-phenylquinolin-2-amine
CID 687170

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-tert-butyl-3-phenylquinolin-2-amine?
The IUPAC name of 4-bromo-N-tert-butyl-3-phenylquinolin-2-amine (CID 72702003) is 4-bromo-N-tert-butyl-3-phenylquinolin-2-amine.
What is the SMILES notation for 4-bromo-N-tert-butyl-3-phenylquinolin-2-amine?
The canonical SMILES for 4-bromo-N-tert-butyl-3-phenylquinolin-2-amine is CC(C)(C)Nc1nc2ccccc2c(Br)c1-c1ccccc1.
What is the InChIKey of 4-bromo-N-tert-butyl-3-phenylquinolin-2-amine?
The InChIKey is NQYVBBAJOUQYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2/c1-19(2,3)22-18-16(13-9-5-4-6-10-13)17(20)14-11-7-8-12-15(14)21-18/h4-12H,1-3H3,(H,21,22).
What are the key properties of 4-bromo-N-tert-butyl-3-phenylquinolin-2-amine?
4-bromo-N-tert-butyl-3-phenylquinolin-2-amine has a molecular weight of 355.28 g/mol, XLogP of 5.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-tert-butyl-3-phenylquinolin-2-amine is sourced from PubChem (CID 72702003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).