2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]quinazoline

C20H14ClN3 — CID 67689010

IUPAC2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]quinazoline
SMILESClc1cccc(Cc2cccc(-c3ncc4ccccc4n3)n2)c1
InChIInChI=1S/C20H14ClN3/c21-16-7-3-5-14(11-16)12-17-8-4-10-19(23-17)20-22-13-15-6-1-2-9-18(15)24-20/h1-11,13H,12H2
InChIKeyUQAUXRQGWLPYPP-UHFFFAOYSA-N
MW331.81 g/mol
LogP4.94
Rot. Bonds3

About 2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]quinazoline

2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]quinazoline (PubChem CID 67689010) has the molecular formula C20H14ClN3 and a molecular weight of 331.81 g/mol. Its IUPAC name is 2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]quinazoline.

Molecular Properties

Compound Name2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]quinazoline
PubChem CID67689010
Molecular FormulaC20H14ClN3
Molecular Weight331.81 g/mol
Exact Mass331.09
IUPAC Name2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]quinazoline
SMILESClc1cccc(Cc2cccc(-c3ncc4ccccc4n3)n2)c1
InChIInChI=1S/C20H14ClN3/c21-16-7-3-5-14(11-16)12-17-8-4-10-19(23-17)20-22-13-15-6-1-2-9-18(15)24-20/h1-11,13H,12H2
InChIKeyUQAUXRQGWLPYPP-UHFFFAOYSA-N
XLogP4.94
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.81
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-[(2,6-dichlorophenyl)methyl]-2-pyridinyl]quinazoline
CID 67688992
2-[6-[(4-bromo-2-fluorophenyl)methyl]-2-pyridinyl]quinazoline
CID 70828404
2-[6-[(2-ethynylphenyl)methyl]-2-pyridinyl]quinazoline
CID 89007792
2-[6-[(3-fluorophenyl)methyl]-5-methyl-2-pyridinyl]quinazoline
CID 67689081
2-(6-benzyl-2-pyridinyl)-4-chloro-6-phenylpyrimidine
CID 23188712
2-(4,6-dichloropyrimidin-2-yl)quinazoline
CID 164863215
2-[6-(3-ethoxyphenyl)-2-pyridinyl]quinazoline
CID 67688216
2-[6-(3-methoxyphenyl)-2-pyridinyl]quinazoline
CID 67688255
2-quinazolin-2-ylquinolin-8-ol
CID 136672132
2-[6-(4-methoxyphenyl)-2-pyridinyl]quinazoline
CID 67688203
1-[(3-chlorophenyl)methyl]naphthalene
CID 173131881
2-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]quinazoline
CID 67688331

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]quinazoline?
The IUPAC name of 2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]quinazoline (CID 67689010) is 2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]quinazoline.
What is the SMILES notation for 2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]quinazoline?
The canonical SMILES for 2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]quinazoline is Clc1cccc(Cc2cccc(-c3ncc4ccccc4n3)n2)c1.
What is the InChIKey of 2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]quinazoline?
The InChIKey is UQAUXRQGWLPYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3/c21-16-7-3-5-14(11-16)12-17-8-4-10-19(23-17)20-22-13-15-6-1-2-9-18(15)24-20/h1-11,13H,12H2.
What are the key properties of 2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]quinazoline?
2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]quinazoline has a molecular weight of 331.81 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]quinazoline is sourced from PubChem (CID 67689010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).