3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)propanamide

C19H20N4O4 — CID 45493274

IUPAC3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)propanamide
SMILESCOc1cc2ncn(CCC(=O)Nc3ncccc3C)c(=O)c2cc1OC
InChIInChI=1S/C19H20N4O4/c1-12-5-4-7-20-18(12)22-17(24)6-8-23-11-21-14-10-16(27-3)15(26-2)9-13(14)19(23)25/h4-5,7,9-11H,6,8H2,1-3H3,(H,20,22,24)
InChIKeyAJKBFJVNTVSGHM-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.15
Rot. Bonds6

About 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)propanamide

3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)propanamide (PubChem CID 45493274) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)propanamide
PubChem CID45493274
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)propanamide
SMILESCOc1cc2ncn(CCC(=O)Nc3ncccc3C)c(=O)c2cc1OC
InChIInChI=1S/C19H20N4O4/c1-12-5-4-7-20-18(12)22-17(24)6-8-23-11-21-14-10-16(27-3)15(26-2)9-13(14)19(23)25/h4-5,7,9-11H,6,8H2,1-3H3,(H,20,22,24)
InChIKeyAJKBFJVNTVSGHM-UHFFFAOYSA-N
XLogP2.15
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzoate
CID 39377823
4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzamide
CID 39377637
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 46581294
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 55908483
methyl 4,5-dimethoxy-2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzoate
CID 27133646
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[3-[(2-methoxyacetyl)amino]phenyl]butanamide
CID 55566505
3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 39378134
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-(2-phenylacetyl)butanehydrazide
CID 46520770
methyl (2S)-2-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]-4-methylpentanoate
CID 45490464
3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 26835382
2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide
CID 71703841
[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate
CID 55498142

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)propanamide (CID 45493274) is 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)propanamide is COc1cc2ncn(CCC(=O)Nc3ncccc3C)c(=O)c2cc1OC.
What is the InChIKey of 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)propanamide?
The InChIKey is AJKBFJVNTVSGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-12-5-4-7-20-18(12)22-17(24)6-8-23-11-21-14-10-16(27-3)15(26-2)9-13(14)19(23)25/h4-5,7,9-11H,6,8H2,1-3H3,(H,20,22,24).
What are the key properties of 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)propanamide?
3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)propanamide has a molecular weight of 368.39 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 45493274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).