2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine

C14H14ClN3 — CID 62008088

IUPAC2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESNC1CCCc2nc(-c3cccc(Cl)c3)ncc21
InChIInChI=1S/C14H14ClN3/c15-10-4-1-3-9(7-10)14-17-8-11-12(16)5-2-6-13(11)18-14/h1,3-4,7-8,12H,2,5-6,16H2
InChIKeyYFNYMJFVZSGMQR-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.13
Rot. Bonds1

About 2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine

2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 62008088) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID62008088
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESNC1CCCc2nc(-c3cccc(Cl)c3)ncc21
InChIInChI=1S/C14H14ClN3/c15-10-4-1-3-9(7-10)14-17-8-11-12(16)5-2-6-13(11)18-14/h1,3-4,7-8,12H,2,5-6,16H2
InChIKeyYFNYMJFVZSGMQR-UHFFFAOYSA-N
XLogP3.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of 2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine (CID 62008088) is 2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for 2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine is NC1CCCc2nc(-c3cccc(Cl)c3)ncc21.
What is the InChIKey of 2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is YFNYMJFVZSGMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3/c15-10-4-1-3-9(7-10)14-17-8-11-12(16)5-2-6-13(11)18-14/h1,3-4,7-8,12H,2,5-6,16H2.
What are the key properties of 2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 259.74 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 62008088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).