2-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C20H23N3O2 — CID 155535415

IUPAC2-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCOc1ccccc1C1=CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1
InChIInChI=1S/C20H23N3O2/c1-25-18-9-5-3-6-15(18)14-10-12-23(13-11-14)20-21-17-8-4-2-7-16(17)19(24)22-20/h3,5-6,9-10H,2,4,7-8,11-13H2,1H3,(H,21,22,24)
InChIKeyHMPAJUGZRUZDQJ-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.95
Rot. Bonds3

About 2-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 155535415) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID155535415
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCOc1ccccc1C1=CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1
InChIInChI=1S/C20H23N3O2/c1-25-18-9-5-3-6-15(18)14-10-12-23(13-11-14)20-21-17-8-4-2-7-16(17)19(24)22-20/h3,5-6,9-10H,2,4,7-8,11-13H2,1H3,(H,21,22,24)
InChIKeyHMPAJUGZRUZDQJ-UHFFFAOYSA-N
XLogP2.95
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 155535415) is 2-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is COc1ccccc1C1=CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is HMPAJUGZRUZDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-25-18-9-5-3-6-15(18)14-10-12-23(13-11-14)20-21-17-8-4-2-7-16(17)19(24)22-20/h3,5-6,9-10H,2,4,7-8,11-13H2,1H3,(H,21,22,24).
What are the key properties of 2-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 337.42 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 155535415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).