3,6-dimethyl-2-[2-(pyridin-3-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one

C22H21N3O2 — CID 167887023

IUPAC3,6-dimethyl-2-[2-(pyridin-3-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one
SMILESCc1ccc2c(c1)C(=O)N(C)C(c1ccccc1OCc1cccnc1)N2
InChIInChI=1S/C22H21N3O2/c1-15-9-10-19-18(12-15)22(26)25(2)21(24-19)17-7-3-4-8-20(17)27-14-16-6-5-11-23-13-16/h3-13,21,24H,14H2,1-2H3
InChIKeyFVXWEYCTKSHZQF-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.17
Rot. Bonds4

About 3,6-dimethyl-2-[2-(pyridin-3-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one

3,6-dimethyl-2-[2-(pyridin-3-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one (PubChem CID 167887023) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3,6-dimethyl-2-[2-(pyridin-3-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3,6-dimethyl-2-[2-(pyridin-3-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one
PubChem CID167887023
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name3,6-dimethyl-2-[2-(pyridin-3-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one
SMILESCc1ccc2c(c1)C(=O)N(C)C(c1ccccc1OCc1cccnc1)N2
InChIInChI=1S/C22H21N3O2/c1-15-9-10-19-18(12-15)22(26)25(2)21(24-19)17-7-3-4-8-20(17)27-14-16-6-5-11-23-13-16/h3-13,21,24H,14H2,1-2H3
InChIKeyFVXWEYCTKSHZQF-UHFFFAOYSA-N
XLogP4.17
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]-1-methyl-2,3-dihydroquinazolin-4-one
CID 97185542
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
3-[(2-chloro-4-methylphenoxy)methyl]pyridine
CID 121427496
5-methyl-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 63324438
3-(2-methoxyethyl)-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54780311
N-[(2R)-4-oxo-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide
CID 1009592
N-methyl-1-[5-methyl-2-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 63323196
[2-(pyridin-3-ylmethoxy)phenyl]boronic acid
CID 43145276
2-(pyridin-3-ylmethoxy)benzaldehyde
CID 6485567
1-[2-methyl-3-(pyridin-3-ylmethoxy)phenyl]piperazine
CID 25263310
3-[(2-benzylphenoxy)methyl]pyridine
CID 112814185
3-[(4-ethyl-2-methylphenoxy)methyl]pyridine
CID 176960080

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-[2-(pyridin-3-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3,6-dimethyl-2-[2-(pyridin-3-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one (CID 167887023) is 3,6-dimethyl-2-[2-(pyridin-3-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3,6-dimethyl-2-[2-(pyridin-3-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3,6-dimethyl-2-[2-(pyridin-3-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one is Cc1ccc2c(c1)C(=O)N(C)C(c1ccccc1OCc1cccnc1)N2.
What is the InChIKey of 3,6-dimethyl-2-[2-(pyridin-3-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one?
The InChIKey is FVXWEYCTKSHZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-15-9-10-19-18(12-15)22(26)25(2)21(24-19)17-7-3-4-8-20(17)27-14-16-6-5-11-23-13-16/h3-13,21,24H,14H2,1-2H3.
What are the key properties of 3,6-dimethyl-2-[2-(pyridin-3-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one?
3,6-dimethyl-2-[2-(pyridin-3-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one has a molecular weight of 359.43 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-[2-(pyridin-3-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 167887023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).