7-chloro-1,4-dihydroquinazolin-2-amine

C8H8ClN3 — CID 10035245

IUPAC7-chloro-1,4-dihydroquinazolin-2-amine
SMILESNC1=NCc2ccc(Cl)cc2N1
InChIInChI=1S/C8H8ClN3/c9-6-2-1-5-4-11-8(10)12-7(5)3-6/h1-3H,4H2,(H3,10,11,12)
InChIKeyKIJXVALDJPUIFM-UHFFFAOYSA-N
MW181.63 g/mol
LogP1.58
Rot. Bonds

About 7-chloro-1,4-dihydroquinazolin-2-amine

7-chloro-1,4-dihydroquinazolin-2-amine (PubChem CID 10035245) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is 7-chloro-1,4-dihydroquinazolin-2-amine.

Molecular Properties

Compound Name7-chloro-1,4-dihydroquinazolin-2-amine
PubChem CID10035245
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC Name7-chloro-1,4-dihydroquinazolin-2-amine
SMILESNC1=NCc2ccc(Cl)cc2N1
InChIInChI=1S/C8H8ClN3/c9-6-2-1-5-4-11-8(10)12-7(5)3-6/h1-3H,4H2,(H3,10,11,12)
InChIKeyKIJXVALDJPUIFM-UHFFFAOYSA-N
XLogP1.58
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.63
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,4-dihydroquinazolin-2-amine?
The IUPAC name of 7-chloro-1,4-dihydroquinazolin-2-amine (CID 10035245) is 7-chloro-1,4-dihydroquinazolin-2-amine.
What is the SMILES notation for 7-chloro-1,4-dihydroquinazolin-2-amine?
The canonical SMILES for 7-chloro-1,4-dihydroquinazolin-2-amine is NC1=NCc2ccc(Cl)cc2N1.
What is the InChIKey of 7-chloro-1,4-dihydroquinazolin-2-amine?
The InChIKey is KIJXVALDJPUIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3/c9-6-2-1-5-4-11-8(10)12-7(5)3-6/h1-3H,4H2,(H3,10,11,12).
What are the key properties of 7-chloro-1,4-dihydroquinazolin-2-amine?
7-chloro-1,4-dihydroquinazolin-2-amine has a molecular weight of 181.63 g/mol, XLogP of 1.58, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,4-dihydroquinazolin-2-amine is sourced from PubChem (CID 10035245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).