N-[(5-amino-2-chlorophenyl)methyl]-N-methylquinazolin-4-amine

C16H15ClN4 — CID 60894555

IUPACN-[(5-amino-2-chlorophenyl)methyl]-N-methylquinazolin-4-amine
SMILESCN(Cc1cc(N)ccc1Cl)c1ncnc2ccccc12
InChIInChI=1S/C16H15ClN4/c1-21(9-11-8-12(18)6-7-14(11)17)16-13-4-2-3-5-15(13)19-10-20-16/h2-8,10H,9,18H2,1H3
InChIKeyBVIJOCYLXNQBEI-UHFFFAOYSA-N
MW298.78 g/mol
LogP3.50
Rot. Bonds3

About N-[(5-amino-2-chlorophenyl)methyl]-N-methylquinazolin-4-amine

N-[(5-amino-2-chlorophenyl)methyl]-N-methylquinazolin-4-amine (PubChem CID 60894555) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is N-[(5-amino-2-chlorophenyl)methyl]-N-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(5-amino-2-chlorophenyl)methyl]-N-methylquinazolin-4-amine
PubChem CID60894555
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC NameN-[(5-amino-2-chlorophenyl)methyl]-N-methylquinazolin-4-amine
SMILESCN(Cc1cc(N)ccc1Cl)c1ncnc2ccccc12
InChIInChI=1S/C16H15ClN4/c1-21(9-11-8-12(18)6-7-14(11)17)16-13-4-2-3-5-15(13)19-10-20-16/h2-8,10H,9,18H2,1H3
InChIKeyBVIJOCYLXNQBEI-UHFFFAOYSA-N
XLogP3.50
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-aminophenyl)methyl]-N-methylquinazolin-4-amine
CID 60894383
4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]quinazoline-4,6-diamine
CID 64589688
N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine
CID 103582930
N-methyl-N-[(5-methylthiophen-2-yl)methyl]quinazolin-4-amine
CID 171702612
N-[(5-amino-2-chlorophenyl)methyl]-6-ethyl-N-methylpyrimidin-4-amine
CID 61240321
4-N-[(4-bromophenyl)methyl]-4-N-methylquinazoline-4,6-diamine
CID 64587901
N,N-dimethylquinazolin-4-amine;hydrochloride
CID 174283261
N-(3-chloro-4-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437356
N-[(2-aminophenyl)methyl]-N-ethylquinazolin-4-amine
CID 60894206
3-[methyl(quinazolin-4-yl)amino]propanenitrile
CID 60726113
7-chloro-N-methyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 86839611
ethyl 2-[methyl(quinazolin-4-yl)amino]acetate
CID 62006339

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-N-methylquinazolin-4-amine?
The IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-N-methylquinazolin-4-amine (CID 60894555) is N-[(5-amino-2-chlorophenyl)methyl]-N-methylquinazolin-4-amine.
What is the SMILES notation for N-[(5-amino-2-chlorophenyl)methyl]-N-methylquinazolin-4-amine?
The canonical SMILES for N-[(5-amino-2-chlorophenyl)methyl]-N-methylquinazolin-4-amine is CN(Cc1cc(N)ccc1Cl)c1ncnc2ccccc12.
What is the InChIKey of N-[(5-amino-2-chlorophenyl)methyl]-N-methylquinazolin-4-amine?
The InChIKey is BVIJOCYLXNQBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4/c1-21(9-11-8-12(18)6-7-14(11)17)16-13-4-2-3-5-15(13)19-10-20-16/h2-8,10H,9,18H2,1H3.
What are the key properties of N-[(5-amino-2-chlorophenyl)methyl]-N-methylquinazolin-4-amine?
N-[(5-amino-2-chlorophenyl)methyl]-N-methylquinazolin-4-amine has a molecular weight of 298.78 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-chlorophenyl)methyl]-N-methylquinazolin-4-amine is sourced from PubChem (CID 60894555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).