2-chloro-4-(2-methylpropyl)quinazolin-8-amine

C12H14ClN3 — CID 105497167

IUPAC2-chloro-4-(2-methylpropyl)quinazolin-8-amine
SMILESCC(C)Cc1nc(Cl)nc2c(N)cccc12
InChIInChI=1S/C12H14ClN3/c1-7(2)6-10-8-4-3-5-9(14)11(8)16-12(13)15-10/h3-5,7H,6,14H2,1-2H3
InChIKeyHGHGOPNRMRNJAB-UHFFFAOYSA-N
MW235.72 g/mol
LogP3.06
Rot. Bonds2

About 2-chloro-4-(2-methylpropyl)quinazolin-8-amine

2-chloro-4-(2-methylpropyl)quinazolin-8-amine (PubChem CID 105497167) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 2-chloro-4-(2-methylpropyl)quinazolin-8-amine.

Molecular Properties

Compound Name2-chloro-4-(2-methylpropyl)quinazolin-8-amine
PubChem CID105497167
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name2-chloro-4-(2-methylpropyl)quinazolin-8-amine
SMILESCC(C)Cc1nc(Cl)nc2c(N)cccc12
InChIInChI=1S/C12H14ClN3/c1-7(2)6-10-8-4-3-5-9(14)11(8)16-12(13)15-10/h3-5,7H,6,14H2,1-2H3
InChIKeyHGHGOPNRMRNJAB-UHFFFAOYSA-N
XLogP3.06
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-4-(2-methylpropyl)quinazolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,8-dichloro-4-ethylquinazoline
CID 105484309
5-(2-methylpropyl)naphthalen-1-amine
CID 134233133
2-chloro-4-propylquinazolin-8-ol
CID 105480012
6-chloro-1-methyl-4-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine
CID 155413736
1-(2-chloroquinazolin-4-yl)-N-methylpropan-2-amine
CID 105497203
azane;naphthalen-1-amine;dihydrochloride
CID 142719941
dichloromethane;naphthalen-1-amine
CID 174958204
methylsulfonylmethane;naphthalen-1-amine
CID 158608928
3,5-dichloro-6-(2-methylpropyl)pyridin-2-amine
CID 102753366
CID 135259743
CID 135259743
2-chloro-8-(trifluoromethyl)quinazolin-4-amine
CID 34181622
3-methyl-2-(2-methylpropyl)aniline
CID 21420803

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylpropyl)quinazolin-8-amine?
The IUPAC name of 2-chloro-4-(2-methylpropyl)quinazolin-8-amine (CID 105497167) is 2-chloro-4-(2-methylpropyl)quinazolin-8-amine.
What is the SMILES notation for 2-chloro-4-(2-methylpropyl)quinazolin-8-amine?
The canonical SMILES for 2-chloro-4-(2-methylpropyl)quinazolin-8-amine is CC(C)Cc1nc(Cl)nc2c(N)cccc12.
What is the InChIKey of 2-chloro-4-(2-methylpropyl)quinazolin-8-amine?
The InChIKey is HGHGOPNRMRNJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-7(2)6-10-8-4-3-5-9(14)11(8)16-12(13)15-10/h3-5,7H,6,14H2,1-2H3.
What are the key properties of 2-chloro-4-(2-methylpropyl)quinazolin-8-amine?
2-chloro-4-(2-methylpropyl)quinazolin-8-amine has a molecular weight of 235.72 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methylpropyl)quinazolin-8-amine is sourced from PubChem (CID 105497167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).