3-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-quinazoline

C15H15ClN2 — CID 639582

IUPAC3-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-quinazoline
SMILESClc1ccc(CN2CNc3ccccc3C2)cc1
InChIInChI=1S/C15H15ClN2/c16-14-7-5-12(6-8-14)9-18-10-13-3-1-2-4-15(13)17-11-18/h1-8,17H,9-11H2
InChIKeyPGCVGSJEUINKJH-UHFFFAOYSA-N
MW258.75 g/mol
LogP3.73
Rot. Bonds2

About 3-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-quinazoline

3-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-quinazoline (PubChem CID 639582) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-quinazoline.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-quinazoline
PubChem CID639582
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name3-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-quinazoline
SMILESClc1ccc(CN2CNc3ccccc3C2)cc1
InChIInChI=1S/C15H15ClN2/c16-14-7-5-12(6-8-14)9-18-10-13-3-1-2-4-15(13)17-11-18/h1-8,17H,9-11H2
InChIKeyPGCVGSJEUINKJH-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-quinazoline?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-quinazoline (CID 639582) is 3-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-quinazoline.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-quinazoline?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-quinazoline is Clc1ccc(CN2CNc3ccccc3C2)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-quinazoline?
The InChIKey is PGCVGSJEUINKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2/c16-14-7-5-12(6-8-14)9-18-10-13-3-1-2-4-15(13)17-11-18/h1-8,17H,9-11H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-quinazoline?
3-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-quinazoline has a molecular weight of 258.75 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-quinazoline is sourced from PubChem (CID 639582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).