2-[6-(3-chloro-4-propoxyphenyl)-5-methyl-2-pyridinyl]quinazoline

C23H20ClN3O — CID 67688542

IUPAC2-[6-(3-chloro-4-propoxyphenyl)-5-methyl-2-pyridinyl]quinazoline
SMILESCCCOc1ccc(-c2nc(-c3ncc4ccccc4n3)ccc2C)cc1Cl
InChIInChI=1S/C23H20ClN3O/c1-3-12-28-21-11-9-16(13-18(21)24)22-15(2)8-10-20(26-22)23-25-14-17-6-4-5-7-19(17)27-23/h4-11,13-14H,3,12H2,1-2H3
InChIKeyXGTZJQDSSPCCQM-UHFFFAOYSA-N
MW389.89 g/mol
LogP6.11
Rot. Bonds5

About 2-[6-(3-chloro-4-propoxyphenyl)-5-methyl-2-pyridinyl]quinazoline

2-[6-(3-chloro-4-propoxyphenyl)-5-methyl-2-pyridinyl]quinazoline (PubChem CID 67688542) has the molecular formula C23H20ClN3O and a molecular weight of 389.89 g/mol. Its IUPAC name is 2-[6-(3-chloro-4-propoxyphenyl)-5-methyl-2-pyridinyl]quinazoline.

Molecular Properties

Compound Name2-[6-(3-chloro-4-propoxyphenyl)-5-methyl-2-pyridinyl]quinazoline
PubChem CID67688542
Molecular FormulaC23H20ClN3O
Molecular Weight389.89 g/mol
Exact Mass389.13
IUPAC Name2-[6-(3-chloro-4-propoxyphenyl)-5-methyl-2-pyridinyl]quinazoline
SMILESCCCOc1ccc(-c2nc(-c3ncc4ccccc4n3)ccc2C)cc1Cl
InChIInChI=1S/C23H20ClN3O/c1-3-12-28-21-11-9-16(13-18(21)24)22-15(2)8-10-20(26-22)23-25-14-17-6-4-5-7-19(17)27-23/h4-11,13-14H,3,12H2,1-2H3
InChIKeyXGTZJQDSSPCCQM-UHFFFAOYSA-N
XLogP6.11
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.89
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(3-chloro-4-ethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline
CID 67688587
2-[6-(2-butoxyphenyl)-5-methyl-2-pyridinyl]quinazoline
CID 67688554
2-[6-(3-ethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline
CID 67688517
2-[6-(2,5-difluorophenyl)-5-methyl-2-pyridinyl]quinazoline
CID 67688535
2-[5-methyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]quinazoline
CID 67688678
2-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]quinazoline
CID 67688331
2-(3-chloro-4-propoxyphenyl)-3H-quinazolin-4-one
CID 168551941
2-(3-chloro-4-pentoxyphenyl)-1H-benzimidazole
CID 168553650
2-[6-(3-ethoxyphenyl)-2-pyridinyl]quinazoline
CID 67688216
2-(3-chloro-4-pentoxyphenyl)-5-pentylpyridine
CID 21286197
2-[6-(4-methoxyphenyl)-2-pyridinyl]quinazoline
CID 67688203
2-(3-chloro-4-propoxyphenyl)furan
CID 168525179

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-chloro-4-propoxyphenyl)-5-methyl-2-pyridinyl]quinazoline?
The IUPAC name of 2-[6-(3-chloro-4-propoxyphenyl)-5-methyl-2-pyridinyl]quinazoline (CID 67688542) is 2-[6-(3-chloro-4-propoxyphenyl)-5-methyl-2-pyridinyl]quinazoline.
What is the SMILES notation for 2-[6-(3-chloro-4-propoxyphenyl)-5-methyl-2-pyridinyl]quinazoline?
The canonical SMILES for 2-[6-(3-chloro-4-propoxyphenyl)-5-methyl-2-pyridinyl]quinazoline is CCCOc1ccc(-c2nc(-c3ncc4ccccc4n3)ccc2C)cc1Cl.
What is the InChIKey of 2-[6-(3-chloro-4-propoxyphenyl)-5-methyl-2-pyridinyl]quinazoline?
The InChIKey is XGTZJQDSSPCCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O/c1-3-12-28-21-11-9-16(13-18(21)24)22-15(2)8-10-20(26-22)23-25-14-17-6-4-5-7-19(17)27-23/h4-11,13-14H,3,12H2,1-2H3.
What are the key properties of 2-[6-(3-chloro-4-propoxyphenyl)-5-methyl-2-pyridinyl]quinazoline?
2-[6-(3-chloro-4-propoxyphenyl)-5-methyl-2-pyridinyl]quinazoline has a molecular weight of 389.89 g/mol, XLogP of 6.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-chloro-4-propoxyphenyl)-5-methyl-2-pyridinyl]quinazoline is sourced from PubChem (CID 67688542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).