1-(2-chloroquinazolin-4-yl)-N-methylpropan-2-amine

C12H14ClN3 — CID 105497203

IUPAC1-(2-chloroquinazolin-4-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1nc(Cl)nc2ccccc12
InChIInChI=1S/C12H14ClN3/c1-8(14-2)7-11-9-5-3-4-6-10(9)15-12(13)16-11/h3-6,8,14H,7H2,1-2H3
InChIKeyXOMUSIGOOQFSFW-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.43
Rot. Bonds3

About 1-(2-chloroquinazolin-4-yl)-N-methylpropan-2-amine

1-(2-chloroquinazolin-4-yl)-N-methylpropan-2-amine (PubChem CID 105497203) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 1-(2-chloroquinazolin-4-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloroquinazolin-4-yl)-N-methylpropan-2-amine
PubChem CID105497203
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name1-(2-chloroquinazolin-4-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1nc(Cl)nc2ccccc12
InChIInChI=1S/C12H14ClN3/c1-8(14-2)7-11-9-5-3-4-6-10(9)15-12(13)16-11/h3-6,8,14H,7H2,1-2H3
InChIKeyXOMUSIGOOQFSFW-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloroquinazolin-2-yl)-N-methylpropan-2-amine
CID 105497225
2-(2-chloroquinazolin-4-yl)ethanamine
CID 105461326
3-(2-chloroquinazolin-4-yl)propan-1-amine
CID 87746138
(2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol
CID 42149810
2-chloro-N,N-bis(2-methylpropyl)quinazolin-4-amine
CID 22693267
(2R)-N-methyl-1-naphthalen-1-ylpropan-2-amine
CID 142942326
2-chloro-N-methyl-N-(2-methylbutyl)quinazolin-4-amine
CID 62477689
N-methyl-1-phenylpropan-2-amine
CID 118309477
1-(6-fluoro-2-methylquinazolin-4-yl)-N-methylpropan-2-amine
CID 105492846
azane;dichloromethane;(2S)-N-methyl-1-phenylpropan-2-amine;hydrate;hydrochloride
CID 173052639
2-chloroquinazolin-4-olate
CID 51422885
5-[(2-chloroquinazolin-4-yl)amino]pentan-2-ol
CID 114148530

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroquinazolin-4-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(2-chloroquinazolin-4-yl)-N-methylpropan-2-amine (CID 105497203) is 1-(2-chloroquinazolin-4-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2-chloroquinazolin-4-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(2-chloroquinazolin-4-yl)-N-methylpropan-2-amine is CNC(C)Cc1nc(Cl)nc2ccccc12.
What is the InChIKey of 1-(2-chloroquinazolin-4-yl)-N-methylpropan-2-amine?
The InChIKey is XOMUSIGOOQFSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-8(14-2)7-11-9-5-3-4-6-10(9)15-12(13)16-11/h3-6,8,14H,7H2,1-2H3.
What are the key properties of 1-(2-chloroquinazolin-4-yl)-N-methylpropan-2-amine?
1-(2-chloroquinazolin-4-yl)-N-methylpropan-2-amine has a molecular weight of 235.72 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroquinazolin-4-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 105497203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).