8-bromo-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine

C16H15BrN4 — CID 110433410

IUPAC8-bromo-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine
SMILESCN(CCc1ccncc1)c1ncnc2c(Br)cccc12
InChIInChI=1S/C16H15BrN4/c1-21(10-7-12-5-8-18-9-6-12)16-13-3-2-4-14(17)15(13)19-11-20-16/h2-6,8-9,11H,7,10H2,1H3
InChIKeyPWZOOWXTGLPXQY-UHFFFAOYSA-N
MW343.23 g/mol
LogP3.47
Rot. Bonds4

About 8-bromo-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine

8-bromo-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine (PubChem CID 110433410) has the molecular formula C16H15BrN4 and a molecular weight of 343.23 g/mol. Its IUPAC name is 8-bromo-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine.

Molecular Properties

Compound Name8-bromo-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine
PubChem CID110433410
Molecular FormulaC16H15BrN4
Molecular Weight343.23 g/mol
Exact Mass342.05
IUPAC Name8-bromo-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine
SMILESCN(CCc1ccncc1)c1ncnc2c(Br)cccc12
InChIInChI=1S/C16H15BrN4/c1-21(10-7-12-5-8-18-9-6-12)16-13-3-2-4-14(17)15(13)19-11-20-16/h2-6,8-9,11H,7,10H2,1H3
InChIKeyPWZOOWXTGLPXQY-UHFFFAOYSA-N
XLogP3.47
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-N,N-dimethylquinazolin-4-amine
CID 110433416
6-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine
CID 112507739
6-chloro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,5-diamine
CID 63023072
4-[methyl(2-pyridin-4-ylethyl)amino]quinazoline-7-carboxylate
CID 6984815
5-bromo-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 63874581
N-[2-(4-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine
CID 163348860
N,3,6-trimethyl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine
CID 133468986
5-chloro-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,3-diamine
CID 80503008
N-methyl-3-propan-2-yloxy-N-(2-pyridin-4-ylethyl)pyrazin-2-amine
CID 133442931
2-chloro-N,5-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 79075884
5-fluoro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80791974
2,3-dichloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 110454690

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine?
The IUPAC name of 8-bromo-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine (CID 110433410) is 8-bromo-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine.
What is the SMILES notation for 8-bromo-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine?
The canonical SMILES for 8-bromo-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine is CN(CCc1ccncc1)c1ncnc2c(Br)cccc12.
What is the InChIKey of 8-bromo-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine?
The InChIKey is PWZOOWXTGLPXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4/c1-21(10-7-12-5-8-18-9-6-12)16-13-3-2-4-14(17)15(13)19-11-20-16/h2-6,8-9,11H,7,10H2,1H3.
What are the key properties of 8-bromo-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine?
8-bromo-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine has a molecular weight of 343.23 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine is sourced from PubChem (CID 110433410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).