5-bromo-N-[2-(3-chlorophenyl)propyl]quinazolin-2-amine

C17H15BrClN3 — CID 166321941

IUPAC5-bromo-N-[2-(3-chlorophenyl)propyl]quinazolin-2-amine
SMILESCC(CNc1ncc2c(Br)cccc2n1)c1cccc(Cl)c1
InChIInChI=1S/C17H15BrClN3/c1-11(12-4-2-5-13(19)8-12)9-20-17-21-10-14-15(18)6-3-7-16(14)22-17/h2-8,10-11H,9H2,1H3,(H,20,21,22)
InChIKeyULCZRFWVVGBBJX-UHFFFAOYSA-N
MW376.69 g/mol
LogP5.26
Rot. Bonds4

About 5-bromo-N-[2-(3-chlorophenyl)propyl]quinazolin-2-amine

5-bromo-N-[2-(3-chlorophenyl)propyl]quinazolin-2-amine (PubChem CID 166321941) has the molecular formula C17H15BrClN3 and a molecular weight of 376.69 g/mol. Its IUPAC name is 5-bromo-N-[2-(3-chlorophenyl)propyl]quinazolin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(3-chlorophenyl)propyl]quinazolin-2-amine
PubChem CID166321941
Molecular FormulaC17H15BrClN3
Molecular Weight376.69 g/mol
Exact Mass375.01
IUPAC Name5-bromo-N-[2-(3-chlorophenyl)propyl]quinazolin-2-amine
SMILESCC(CNc1ncc2c(Br)cccc2n1)c1cccc(Cl)c1
InChIInChI=1S/C17H15BrClN3/c1-11(12-4-2-5-13(19)8-12)9-20-17-21-10-14-15(18)6-3-7-16(14)22-17/h2-8,10-11H,9H2,1H3,(H,20,21,22)
InChIKeyULCZRFWVVGBBJX-UHFFFAOYSA-N
XLogP5.26
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 ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[1-(3-chlorophenyl)propan-2-yl]quinazolin-2-amine
CID 166321942
N-(2-phenylpropyl)quinazolin-2-amine
CID 114789270
5-chloro-N-(2-phenylpropyl)pyrimidin-2-amine
CID 112696400
7-chloro-N-[2-(3-chlorophenyl)propyl]quinazolin-4-amine
CID 166321938
N-[2-(3-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 66436956
N-(2-phenylpropyl)-1,2,4-benzotriazin-3-amine
CID 103204477
5-bromo-N-(2-phenylpropyl)isoquinolin-1-amine
CID 106539446
N-[1-(3-chlorophenyl)ethyl]-2-phenylpropan-1-amine
CID 43080383
3-(3-chlorophenyl)butanoic acid
CID 71683749
2,5-dibromoquinazoline
CID 130132273
1-chloro-3-(1-methoxypropan-2-yl)benzene
CID 170008686
N-(2-phenylpropyl)quinoxalin-2-amine
CID 47142875

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(3-chlorophenyl)propyl]quinazolin-2-amine?
The IUPAC name of 5-bromo-N-[2-(3-chlorophenyl)propyl]quinazolin-2-amine (CID 166321941) is 5-bromo-N-[2-(3-chlorophenyl)propyl]quinazolin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(3-chlorophenyl)propyl]quinazolin-2-amine?
The canonical SMILES for 5-bromo-N-[2-(3-chlorophenyl)propyl]quinazolin-2-amine is CC(CNc1ncc2c(Br)cccc2n1)c1cccc(Cl)c1.
What is the InChIKey of 5-bromo-N-[2-(3-chlorophenyl)propyl]quinazolin-2-amine?
The InChIKey is ULCZRFWVVGBBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClN3/c1-11(12-4-2-5-13(19)8-12)9-20-17-21-10-14-15(18)6-3-7-16(14)22-17/h2-8,10-11H,9H2,1H3,(H,20,21,22).
What are the key properties of 5-bromo-N-[2-(3-chlorophenyl)propyl]quinazolin-2-amine?
5-bromo-N-[2-(3-chlorophenyl)propyl]quinazolin-2-amine has a molecular weight of 376.69 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(3-chlorophenyl)propyl]quinazolin-2-amine is sourced from PubChem (CID 166321941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).