2-chloro-6-ethyl-N-propan-2-ylquinazolin-4-amine

C13H16ClN3 — CID 114693032

IUPAC2-chloro-6-ethyl-N-propan-2-ylquinazolin-4-amine
SMILESCCc1ccc2nc(Cl)nc(NC(C)C)c2c1
InChIInChI=1S/C13H16ClN3/c1-4-9-5-6-11-10(7-9)12(15-8(2)3)17-13(14)16-11/h5-8H,4H2,1-3H3,(H,15,16,17)
InChIKeyJQKUCXZWSDVLRJ-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.67
Rot. Bonds3

About 2-chloro-6-ethyl-N-propan-2-ylquinazolin-4-amine

2-chloro-6-ethyl-N-propan-2-ylquinazolin-4-amine (PubChem CID 114693032) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 2-chloro-6-ethyl-N-propan-2-ylquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-6-ethyl-N-propan-2-ylquinazolin-4-amine
PubChem CID114693032
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name2-chloro-6-ethyl-N-propan-2-ylquinazolin-4-amine
SMILESCCc1ccc2nc(Cl)nc(NC(C)C)c2c1
InChIInChI=1S/C13H16ClN3/c1-4-9-5-6-11-10(7-9)12(15-8(2)3)17-13(14)16-11/h5-8H,4H2,1-3H3,(H,15,16,17)
InChIKeyJQKUCXZWSDVLRJ-UHFFFAOYSA-N
XLogP3.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-chloro-N-propan-2-ylquinazolin-4-amine
CID 114692800
2,7-dichloro-N-propan-2-ylquinazolin-4-amine
CID 114693126
4-chloro-2-(difluoromethyl)-6-ethylquinoline
CID 62892996
2,6-diethyl-N-propylquinolin-4-amine
CID 63479884
4-chloro-6-ethyl-3-iodo-2-methylquinoline
CID 121236850
[4-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-methylquinazolin-6-yl]methanol
CID 163250679
6-ethyl-N,4-dimethylquinolin-2-amine
CID 84619685
N-[(4-chlorophenyl)methyl]-6-ethylquinazolin-4-amine
CID 21002588
2-chloro-7-fluoro-8-methyl-N-propan-2-ylquinazolin-4-amine
CID 114693358
6-ethyl-2-propan-2-ylquinoline-4-carboxylic acid
CID 5133447
6-chloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylquinazolin-4-amine
CID 25178132
N-[(6-ethyl-2-methylquinolin-4-yl)methyl]-2-methylpropan-1-amine
CID 82448230

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-N-propan-2-ylquinazolin-4-amine?
The IUPAC name of 2-chloro-6-ethyl-N-propan-2-ylquinazolin-4-amine (CID 114693032) is 2-chloro-6-ethyl-N-propan-2-ylquinazolin-4-amine.
What is the SMILES notation for 2-chloro-6-ethyl-N-propan-2-ylquinazolin-4-amine?
The canonical SMILES for 2-chloro-6-ethyl-N-propan-2-ylquinazolin-4-amine is CCc1ccc2nc(Cl)nc(NC(C)C)c2c1.
What is the InChIKey of 2-chloro-6-ethyl-N-propan-2-ylquinazolin-4-amine?
The InChIKey is JQKUCXZWSDVLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-4-9-5-6-11-10(7-9)12(15-8(2)3)17-13(14)16-11/h5-8H,4H2,1-3H3,(H,15,16,17).
What are the key properties of 2-chloro-6-ethyl-N-propan-2-ylquinazolin-4-amine?
2-chloro-6-ethyl-N-propan-2-ylquinazolin-4-amine has a molecular weight of 249.74 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-N-propan-2-ylquinazolin-4-amine is sourced from PubChem (CID 114693032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).