2-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine

C19H18ClN3O — CID 2958410

IUPAC2-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine
SMILESClc1cccc(-c2nc(NCC3CCCO3)c3ccccc3n2)c1
InChIInChI=1S/C19H18ClN3O/c20-14-6-3-5-13(11-14)18-22-17-9-2-1-8-16(17)19(23-18)21-12-15-7-4-10-24-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,21,22,23)
InChIKeyRBTNVMZRDIIANW-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.54
Rot. Bonds4

About 2-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine

2-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine (PubChem CID 2958410) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine
PubChem CID2958410
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name2-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine
SMILESClc1cccc(-c2nc(NCC3CCCO3)c3ccccc3n2)c1
InChIInChI=1S/C19H18ClN3O/c20-14-6-3-5-13(11-14)18-22-17-9-2-1-8-16(17)19(23-18)21-12-15-7-4-10-24-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,21,22,23)
InChIKeyRBTNVMZRDIIANW-UHFFFAOYSA-N
XLogP4.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine (CID 2958410) is 2-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine is Clc1cccc(-c2nc(NCC3CCCO3)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine?
The InChIKey is RBTNVMZRDIIANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c20-14-6-3-5-13(11-14)18-22-17-9-2-1-8-16(17)19(23-18)21-12-15-7-4-10-24-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,21,22,23).
What are the key properties of 2-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine?
2-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine has a molecular weight of 339.83 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 2958410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).