N-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-2-amine

C14H14ClN3 — CID 57388815

IUPACN-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESClc1ccc(Nc2ncc3c(n2)CCCC3)cc1
InChIInChI=1S/C14H14ClN3/c15-11-5-7-12(8-6-11)17-14-16-9-10-3-1-2-4-13(10)18-14/h5-9H,1-4H2,(H,16,17,18)
InChIKeyWCVSUUTWFGVKIY-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.75
Rot. Bonds2

About N-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-2-amine

N-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 57388815) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID57388815
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC NameN-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESClc1ccc(Nc2ncc3c(n2)CCCC3)cc1
InChIInChI=1S/C14H14ClN3/c15-11-5-7-12(8-6-11)17-14-16-9-10-3-1-2-4-13(10)18-14/h5-9H,1-4H2,(H,16,17,18)
InChIKeyWCVSUUTWFGVKIY-UHFFFAOYSA-N
XLogP3.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-2-amine (CID 57388815) is N-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-2-amine is Clc1ccc(Nc2ncc3c(n2)CCCC3)cc1.
What is the InChIKey of N-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is WCVSUUTWFGVKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3/c15-11-5-7-12(8-6-11)17-14-16-9-10-3-1-2-4-13(10)18-14/h5-9H,1-4H2,(H,16,17,18).
What are the key properties of N-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
N-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 259.74 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 57388815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).