2-(4-chloro-6-methylquinazolin-2-yl)-N-methylethanamine

C12H14ClN3 — CID 105497222

IUPAC2-(4-chloro-6-methylquinazolin-2-yl)-N-methylethanamine
SMILESCNCCc1nc(Cl)c2cc(C)ccc2n1
InChIInChI=1S/C12H14ClN3/c1-8-3-4-10-9(7-8)12(13)16-11(15-10)5-6-14-2/h3-4,7,14H,5-6H2,1-2H3
InChIKeyMTTBKIZILIDCPN-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.35
Rot. Bonds3

About 2-(4-chloro-6-methylquinazolin-2-yl)-N-methylethanamine

2-(4-chloro-6-methylquinazolin-2-yl)-N-methylethanamine (PubChem CID 105497222) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 2-(4-chloro-6-methylquinazolin-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chloro-6-methylquinazolin-2-yl)-N-methylethanamine
PubChem CID105497222
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name2-(4-chloro-6-methylquinazolin-2-yl)-N-methylethanamine
SMILESCNCCc1nc(Cl)c2cc(C)ccc2n1
InChIInChI=1S/C12H14ClN3/c1-8-3-4-10-9(7-8)12(13)16-11(15-10)5-6-14-2/h3-4,7,14H,5-6H2,1-2H3
InChIKeyMTTBKIZILIDCPN-UHFFFAOYSA-N
XLogP2.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloroquinazolin-2-yl)-N-methylethanamine
CID 105478665
3-(4-chloro-6-methylquinazolin-2-yl)propan-1-ol
CID 105498483
2-(6-fluoro-4-methylquinazolin-2-yl)-N-methylethanamine
CID 105473983
4-chloro-6-methoxy-2-propylquinazoline
CID 106584452
N-methyl-2-(5-methyl-2,1-benzoxazol-3-yl)ethanamine
CID 105444370
4-chloro-6-iodo-2-propylquinazoline
CID 10616606
3,4-dichloro-2,6-dimethylquinoline
CID 54483448
4-chloro-2-(2-hydroxyethyl)quinazolin-6-ol
CID 105482516
N-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)ethanamine
CID 79143288
4,6-dichloro-2-(2,5-dimethylphenyl)quinazoline
CID 63496783
2-[5-(3,5-dimethyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 136829647
(4,6-dichloroquinazolin-2-yl)methanamine
CID 105485144

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-methylquinazolin-2-yl)-N-methylethanamine?
The IUPAC name of 2-(4-chloro-6-methylquinazolin-2-yl)-N-methylethanamine (CID 105497222) is 2-(4-chloro-6-methylquinazolin-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-chloro-6-methylquinazolin-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-chloro-6-methylquinazolin-2-yl)-N-methylethanamine is CNCCc1nc(Cl)c2cc(C)ccc2n1.
What is the InChIKey of 2-(4-chloro-6-methylquinazolin-2-yl)-N-methylethanamine?
The InChIKey is MTTBKIZILIDCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-8-3-4-10-9(7-8)12(13)16-11(15-10)5-6-14-2/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of 2-(4-chloro-6-methylquinazolin-2-yl)-N-methylethanamine?
2-(4-chloro-6-methylquinazolin-2-yl)-N-methylethanamine has a molecular weight of 235.72 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-methylquinazolin-2-yl)-N-methylethanamine is sourced from PubChem (CID 105497222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).