7-chloro-3-methyl-2-pyridin-2-yl-4H-quinazoline

C14H12ClN3 — CID 67579128

IUPAC7-chloro-3-methyl-2-pyridin-2-yl-4H-quinazoline
SMILESCN1Cc2ccc(Cl)cc2N=C1c1ccccn1
InChIInChI=1S/C14H12ClN3/c1-18-9-10-5-6-11(15)8-13(10)17-14(18)12-4-2-3-7-16-12/h2-8H,9H2,1H3
InChIKeyYEMXFNFDBBNWRB-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.26
Rot. Bonds1

About 7-chloro-3-methyl-2-pyridin-2-yl-4H-quinazoline

7-chloro-3-methyl-2-pyridin-2-yl-4H-quinazoline (PubChem CID 67579128) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 7-chloro-3-methyl-2-pyridin-2-yl-4H-quinazoline.

Molecular Properties

Compound Name7-chloro-3-methyl-2-pyridin-2-yl-4H-quinazoline
PubChem CID67579128
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name7-chloro-3-methyl-2-pyridin-2-yl-4H-quinazoline
SMILESCN1Cc2ccc(Cl)cc2N=C1c1ccccn1
InChIInChI=1S/C14H12ClN3/c1-18-9-10-5-6-11(15)8-13(10)17-14(18)12-4-2-3-7-16-12/h2-8H,9H2,1H3
InChIKeyYEMXFNFDBBNWRB-UHFFFAOYSA-N
XLogP3.26
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-2-pyridin-2-yl-4H-quinazoline?
The IUPAC name of 7-chloro-3-methyl-2-pyridin-2-yl-4H-quinazoline (CID 67579128) is 7-chloro-3-methyl-2-pyridin-2-yl-4H-quinazoline.
What is the SMILES notation for 7-chloro-3-methyl-2-pyridin-2-yl-4H-quinazoline?
The canonical SMILES for 7-chloro-3-methyl-2-pyridin-2-yl-4H-quinazoline is CN1Cc2ccc(Cl)cc2N=C1c1ccccn1.
What is the InChIKey of 7-chloro-3-methyl-2-pyridin-2-yl-4H-quinazoline?
The InChIKey is YEMXFNFDBBNWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-18-9-10-5-6-11(15)8-13(10)17-14(18)12-4-2-3-7-16-12/h2-8H,9H2,1H3.
What are the key properties of 7-chloro-3-methyl-2-pyridin-2-yl-4H-quinazoline?
7-chloro-3-methyl-2-pyridin-2-yl-4H-quinazoline has a molecular weight of 257.72 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-2-pyridin-2-yl-4H-quinazoline is sourced from PubChem (CID 67579128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).