4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]quinazoline

C22H23N3O3 — CID 24573175

IUPAC4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]quinazoline
SMILESCOc1cc(OC)c(C2=CCN(c3ncnc4ccccc34)CC2)c(OC)c1
InChIInChI=1S/C22H23N3O3/c1-26-16-12-19(27-2)21(20(13-16)28-3)15-8-10-25(11-9-15)22-17-6-4-5-7-18(17)23-14-24-22/h4-8,12-14H,9-11H2,1-3H3
InChIKeyXZGZUCKGOJJRHN-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.95
Rot. Bonds5

About 4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]quinazoline

4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]quinazoline (PubChem CID 24573175) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]quinazoline.

Molecular Properties

Compound Name4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]quinazoline
PubChem CID24573175
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]quinazoline
SMILESCOc1cc(OC)c(C2=CCN(c3ncnc4ccccc34)CC2)c(OC)c1
InChIInChI=1S/C22H23N3O3/c1-26-16-12-19(27-2)21(20(13-16)28-3)15-8-10-25(11-9-15)22-17-6-4-5-7-18(17)23-14-24-22/h4-8,12-14H,9-11H2,1-3H3
InChIKeyXZGZUCKGOJJRHN-UHFFFAOYSA-N
XLogP3.95
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(trifluoromethyl)-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine
CID 31537150
quinolin-2-yl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 42280881
ethyl 6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylate
CID 31537153
(2-methoxyphenyl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 33264904
(2-methoxyphenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 32880632
4-(azepan-1-yl)quinazoline
CID 5207391
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline
CID 21002947
3-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 33266470
ethyl 8-methoxy-4-[1-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-4-yl]quinoline-3-carboxylate
CID 162669788
6-methoxy-N-(1-quinazolin-4-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888251
4-(azepan-1-yl)-6-methoxyquinazoline
CID 21002922
4-(azepan-1-yl)-7-methoxyquinazoline
CID 110433303

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]quinazoline?
The IUPAC name of 4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]quinazoline (CID 24573175) is 4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]quinazoline.
What is the SMILES notation for 4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]quinazoline?
The canonical SMILES for 4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]quinazoline is COc1cc(OC)c(C2=CCN(c3ncnc4ccccc34)CC2)c(OC)c1.
What is the InChIKey of 4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]quinazoline?
The InChIKey is XZGZUCKGOJJRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-26-16-12-19(27-2)21(20(13-16)28-3)15-8-10-25(11-9-15)22-17-6-4-5-7-18(17)23-14-24-22/h4-8,12-14H,9-11H2,1-3H3.
What are the key properties of 4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]quinazoline?
4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]quinazoline has a molecular weight of 377.44 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]quinazoline is sourced from PubChem (CID 24573175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).