2-(2-chloro-3-pyridinyl)-1,4-dihydroquinazoline

C13H10ClN3 — CID 173185429

IUPAC2-(2-chloro-3-pyridinyl)-1,4-dihydroquinazoline
SMILESClc1ncccc1C1=NCc2ccccc2N1
InChIInChI=1S/C13H10ClN3/c14-12-10(5-3-7-15-12)13-16-8-9-4-1-2-6-11(9)17-13/h1-7H,8H2,(H,16,17)
InChIKeyAWZBDVPZEKLQEZ-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.11
Rot. Bonds1

About 2-(2-chloro-3-pyridinyl)-1,4-dihydroquinazoline

2-(2-chloro-3-pyridinyl)-1,4-dihydroquinazoline (PubChem CID 173185429) has the molecular formula C13H10ClN3 and a molecular weight of 243.70 g/mol. Its IUPAC name is 2-(2-chloro-3-pyridinyl)-1,4-dihydroquinazoline.

Molecular Properties

Compound Name2-(2-chloro-3-pyridinyl)-1,4-dihydroquinazoline
PubChem CID173185429
Molecular FormulaC13H10ClN3
Molecular Weight243.70 g/mol
Exact Mass243.06
IUPAC Name2-(2-chloro-3-pyridinyl)-1,4-dihydroquinazoline
SMILESClc1ncccc1C1=NCc2ccccc2N1
InChIInChI=1S/C13H10ClN3/c14-12-10(5-3-7-15-12)13-16-8-9-4-1-2-6-11(9)17-13/h1-7H,8H2,(H,16,17)
InChIKeyAWZBDVPZEKLQEZ-UHFFFAOYSA-N
XLogP3.11
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-pyridinyl)-1,4-dihydroquinazoline?
The IUPAC name of 2-(2-chloro-3-pyridinyl)-1,4-dihydroquinazoline (CID 173185429) is 2-(2-chloro-3-pyridinyl)-1,4-dihydroquinazoline.
What is the SMILES notation for 2-(2-chloro-3-pyridinyl)-1,4-dihydroquinazoline?
The canonical SMILES for 2-(2-chloro-3-pyridinyl)-1,4-dihydroquinazoline is Clc1ncccc1C1=NCc2ccccc2N1.
What is the InChIKey of 2-(2-chloro-3-pyridinyl)-1,4-dihydroquinazoline?
The InChIKey is AWZBDVPZEKLQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3/c14-12-10(5-3-7-15-12)13-16-8-9-4-1-2-6-11(9)17-13/h1-7H,8H2,(H,16,17).
What are the key properties of 2-(2-chloro-3-pyridinyl)-1,4-dihydroquinazoline?
2-(2-chloro-3-pyridinyl)-1,4-dihydroquinazoline has a molecular weight of 243.70 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-pyridinyl)-1,4-dihydroquinazoline is sourced from PubChem (CID 173185429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).