6-chloro-2-[2-(dimethylamino)phenyl]-N,N-dimethylquinazolin-4-amine

C18H19ClN4 — CID 59212969

IUPAC6-chloro-2-[2-(dimethylamino)phenyl]-N,N-dimethylquinazolin-4-amine
SMILESCN(C)c1ccccc1-c1nc(N(C)C)c2cc(Cl)ccc2n1
InChIInChI=1S/C18H19ClN4/c1-22(2)16-8-6-5-7-13(16)17-20-15-10-9-12(19)11-14(15)18(21-17)23(3)4/h5-11H,1-4H3
InChIKeyNEMISPTZYYIZCC-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.08
Rot. Bonds3

About 6-chloro-2-[2-(dimethylamino)phenyl]-N,N-dimethylquinazolin-4-amine

6-chloro-2-[2-(dimethylamino)phenyl]-N,N-dimethylquinazolin-4-amine (PubChem CID 59212969) has the molecular formula C18H19ClN4 and a molecular weight of 326.83 g/mol. Its IUPAC name is 6-chloro-2-[2-(dimethylamino)phenyl]-N,N-dimethylquinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-2-[2-(dimethylamino)phenyl]-N,N-dimethylquinazolin-4-amine
PubChem CID59212969
Molecular FormulaC18H19ClN4
Molecular Weight326.83 g/mol
Exact Mass326.13
IUPAC Name6-chloro-2-[2-(dimethylamino)phenyl]-N,N-dimethylquinazolin-4-amine
SMILESCN(C)c1ccccc1-c1nc(N(C)C)c2cc(Cl)ccc2n1
InChIInChI=1S/C18H19ClN4/c1-22(2)16-8-6-5-7-13(16)17-20-15-10-9-12(19)11-14(15)18(21-17)23(3)4/h5-11H,1-4H3
InChIKeyNEMISPTZYYIZCC-UHFFFAOYSA-N
XLogP4.08
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[6-chloro-2-(2-fluorophenyl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 59213757
6-chloro-2-N,2-N-diethyl-4-N,4-N-dimethylquinazoline-2,4-diamine
CID 15306699
N-benzyl-2-(4-bromophenyl)-6-chloro-N-methylquinazolin-4-amine
CID 68860862
2-[2-(dimethylamino)phenyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine
CID 74233257
2-(2,3-difluorophenyl)-N,N-dimethylquinazolin-4-amine
CID 59213691
4,6-dichloro-2-(2-methoxyphenyl)quinazoline
CID 63084991
1-[4-[6-chloro-4-(dimethylamino)quinazolin-2-yl]-3-fluorobenzoyl]azetidine-2-carboxylic acid
CID 59212863
N,N-dimethyl-2-phenylquinazolin-4-amine;ethane
CID 90692707
ethyl 4-[4-[6-chloro-4-(dimethylamino)quinazolin-2-yl]-3-fluorobenzoyl]piperazine-1-carboxylate
CID 58711826
2-(4-chlorophenyl)-6,7-dimethoxy-N,N-dimethylquinazolin-4-amine
CID 22997395
6-chloro-2-[4-(dimethylamino)phenyl]quinazolin-4-amine
CID 64983672
3-[4-(dimethylamino)quinazolin-2-yl]-1H-pyridin-2-one
CID 59213518

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-(dimethylamino)phenyl]-N,N-dimethylquinazolin-4-amine?
The IUPAC name of 6-chloro-2-[2-(dimethylamino)phenyl]-N,N-dimethylquinazolin-4-amine (CID 59212969) is 6-chloro-2-[2-(dimethylamino)phenyl]-N,N-dimethylquinazolin-4-amine.
What is the SMILES notation for 6-chloro-2-[2-(dimethylamino)phenyl]-N,N-dimethylquinazolin-4-amine?
The canonical SMILES for 6-chloro-2-[2-(dimethylamino)phenyl]-N,N-dimethylquinazolin-4-amine is CN(C)c1ccccc1-c1nc(N(C)C)c2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-2-[2-(dimethylamino)phenyl]-N,N-dimethylquinazolin-4-amine?
The InChIKey is NEMISPTZYYIZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4/c1-22(2)16-8-6-5-7-13(16)17-20-15-10-9-12(19)11-14(15)18(21-17)23(3)4/h5-11H,1-4H3.
What are the key properties of 6-chloro-2-[2-(dimethylamino)phenyl]-N,N-dimethylquinazolin-4-amine?
6-chloro-2-[2-(dimethylamino)phenyl]-N,N-dimethylquinazolin-4-amine has a molecular weight of 326.83 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-(dimethylamino)phenyl]-N,N-dimethylquinazolin-4-amine is sourced from PubChem (CID 59212969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).