pyridin-2-ylmethyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate

C18H17N3O3 — CID 43021661

IUPACpyridin-2-ylmethyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
SMILESCn1c(CCC(=O)OCc2ccccn2)nc2ccccc2c1=O
InChIInChI=1S/C18H17N3O3/c1-21-16(20-15-8-3-2-7-14(15)18(21)23)9-10-17(22)24-12-13-6-4-5-11-19-13/h2-8,11H,9-10,12H2,1H3
InChIKeyOFBZYSFOKFIRAT-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.00
Rot. Bonds5

About pyridin-2-ylmethyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate

pyridin-2-ylmethyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate (PubChem CID 43021661) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is pyridin-2-ylmethyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
PubChem CID43021661
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Namepyridin-2-ylmethyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
SMILESCn1c(CCC(=O)OCc2ccccn2)nc2ccccc2c1=O
InChIInChI=1S/C18H17N3O3/c1-21-16(20-15-8-3-2-7-14(15)18(21)23)9-10-17(22)24-12-13-6-4-5-11-19-13/h2-8,11H,9-10,12H2,1H3
InChIKeyOFBZYSFOKFIRAT-UHFFFAOYSA-N
XLogP2.00
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 30933838
[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 46627260
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 46626983
[2-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 55424472
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 46626982
[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 30933703
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 55424286
[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 55424269
[2-(3-methylbutylamino)-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 30933282
3-methyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]quinazolin-4-one
CID 122133317
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 55476478
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 55476112

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate?
The IUPAC name of pyridin-2-ylmethyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate (CID 43021661) is pyridin-2-ylmethyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate.
What is the SMILES notation for pyridin-2-ylmethyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate?
The canonical SMILES for pyridin-2-ylmethyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate is Cn1c(CCC(=O)OCc2ccccn2)nc2ccccc2c1=O.
What is the InChIKey of pyridin-2-ylmethyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate?
The InChIKey is OFBZYSFOKFIRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-21-16(20-15-8-3-2-7-14(15)18(21)23)9-10-17(22)24-12-13-6-4-5-11-19-13/h2-8,11H,9-10,12H2,1H3.
What are the key properties of pyridin-2-ylmethyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate?
pyridin-2-ylmethyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate has a molecular weight of 323.35 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate is sourced from PubChem (CID 43021661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).