5-bromo-N-[1-(3-chlorophenyl)propan-2-yl]quinazolin-2-amine

C17H15BrClN3 — CID 166321942

IUPAC5-bromo-N-[1-(3-chlorophenyl)propan-2-yl]quinazolin-2-amine
SMILESCC(Cc1cccc(Cl)c1)Nc1ncc2c(Br)cccc2n1
InChIInChI=1S/C17H15BrClN3/c1-11(8-12-4-2-5-13(19)9-12)21-17-20-10-14-15(18)6-3-7-16(14)22-17/h2-7,9-11H,8H2,1H3,(H,20,21,22)
InChIKeyGQTPOEVLHUKAEU-UHFFFAOYSA-N
MW376.69 g/mol
LogP5.09
Rot. Bonds4

About 5-bromo-N-[1-(3-chlorophenyl)propan-2-yl]quinazolin-2-amine

5-bromo-N-[1-(3-chlorophenyl)propan-2-yl]quinazolin-2-amine (PubChem CID 166321942) has the molecular formula C17H15BrClN3 and a molecular weight of 376.69 g/mol. Its IUPAC name is 5-bromo-N-[1-(3-chlorophenyl)propan-2-yl]quinazolin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(3-chlorophenyl)propan-2-yl]quinazolin-2-amine
PubChem CID166321942
Molecular FormulaC17H15BrClN3
Molecular Weight376.69 g/mol
Exact Mass375.01
IUPAC Name5-bromo-N-[1-(3-chlorophenyl)propan-2-yl]quinazolin-2-amine
SMILESCC(Cc1cccc(Cl)c1)Nc1ncc2c(Br)cccc2n1
InChIInChI=1S/C17H15BrClN3/c1-11(8-12-4-2-5-13(19)9-12)21-17-20-10-14-15(18)6-3-7-16(14)22-17/h2-7,9-11H,8H2,1H3,(H,20,21,22)
InChIKeyGQTPOEVLHUKAEU-UHFFFAOYSA-N
XLogP5.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.69
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(3-chlorophenyl)propyl]quinazolin-2-amine
CID 166321941
2-N,4-N-bis(1-phenylpropan-2-yl)quinazoline-2,4-diamine
CID 19939147
N-[1-(3-chlorophenyl)propan-2-yl]-4-methylpentan-2-amine
CID 43694863
3-chloro-N-[1-(3-chlorophenyl)propan-2-yl]-6-methoxyisoquinolin-1-amine
CID 167797323
(2S)-2-[1-(3-chlorophenyl)propan-2-ylamino]propanoic acid
CID 122038931
N-[1-(3-chlorophenyl)propan-2-yl]cyclopentanamine
CID 43694776
N-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-2-amine
CID 113297998
N-[1-(3-chlorophenyl)propan-2-yl]pentan-2-amine
CID 43694851
1-(3-chlorophenyl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine
CID 83118328
1-(3-chlorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-2-amine
CID 62742896
1-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)propan-2-amine
CID 43694798
5-chloro-2-N-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-2,4-diamine
CID 80831177

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(3-chlorophenyl)propan-2-yl]quinazolin-2-amine?
The IUPAC name of 5-bromo-N-[1-(3-chlorophenyl)propan-2-yl]quinazolin-2-amine (CID 166321942) is 5-bromo-N-[1-(3-chlorophenyl)propan-2-yl]quinazolin-2-amine.
What is the SMILES notation for 5-bromo-N-[1-(3-chlorophenyl)propan-2-yl]quinazolin-2-amine?
The canonical SMILES for 5-bromo-N-[1-(3-chlorophenyl)propan-2-yl]quinazolin-2-amine is CC(Cc1cccc(Cl)c1)Nc1ncc2c(Br)cccc2n1.
What is the InChIKey of 5-bromo-N-[1-(3-chlorophenyl)propan-2-yl]quinazolin-2-amine?
The InChIKey is GQTPOEVLHUKAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClN3/c1-11(8-12-4-2-5-13(19)9-12)21-17-20-10-14-15(18)6-3-7-16(14)22-17/h2-7,9-11H,8H2,1H3,(H,20,21,22).
What are the key properties of 5-bromo-N-[1-(3-chlorophenyl)propan-2-yl]quinazolin-2-amine?
5-bromo-N-[1-(3-chlorophenyl)propan-2-yl]quinazolin-2-amine has a molecular weight of 376.69 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(3-chlorophenyl)propan-2-yl]quinazolin-2-amine is sourced from PubChem (CID 166321942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).