6-(4,5-dihydro-1H-pyrazol-4-yl)-8-methoxy-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3H-quinazolin-4-one

C22H22N4O4 — CID 136617659

IUPAC6-(4,5-dihydro-1H-pyrazol-4-yl)-8-methoxy-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3H-quinazolin-4-one
SMILESCOc1ccc2c(c1)CC(c1nc3c(OC)cc(C4C=NNC4)cc3c(=O)[nH]1)CO2
InChIInChI=1S/C22H22N4O4/c1-28-16-3-4-18-13(6-16)5-14(11-30-18)21-25-20-17(22(27)26-21)7-12(8-19(20)29-2)15-9-23-24-10-15/h3-4,6-9,14-15,24H,5,10-11H2,1-2H3,(H,25,26,27)
InChIKeyAWERGCJQFFLNFM-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.33
Rot. Bonds4

About 6-(4,5-dihydro-1H-pyrazol-4-yl)-8-methoxy-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3H-quinazolin-4-one

6-(4,5-dihydro-1H-pyrazol-4-yl)-8-methoxy-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3H-quinazolin-4-one (PubChem CID 136617659) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 6-(4,5-dihydro-1H-pyrazol-4-yl)-8-methoxy-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-(4,5-dihydro-1H-pyrazol-4-yl)-8-methoxy-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3H-quinazolin-4-one
PubChem CID136617659
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name6-(4,5-dihydro-1H-pyrazol-4-yl)-8-methoxy-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3H-quinazolin-4-one
SMILESCOc1ccc2c(c1)CC(c1nc3c(OC)cc(C4C=NNC4)cc3c(=O)[nH]1)CO2
InChIInChI=1S/C22H22N4O4/c1-28-16-3-4-18-13(6-16)5-14(11-30-18)21-25-20-17(22(27)26-21)7-12(8-19(20)29-2)15-9-23-24-10-15/h3-4,6-9,14-15,24H,5,10-11H2,1-2H3,(H,25,26,27)
InChIKeyAWERGCJQFFLNFM-UHFFFAOYSA-N
XLogP2.33
TPSA97.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[6-(4,5-dihydro-1H-pyrazol-4-yl)-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine
CID 70997767
2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-7-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 135894313
6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-8-[2-(dimethylamino)ethyl-methylamino]-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3H-quinazolin-4-one
CID 143996542
2-cyclopropyl-6-(4,5-dihydro-1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 136617658
(3S)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7061285
2-[7-[2-(dimethylamino)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-8-methoxy-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 135894308
6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 47170033
(3R)-6-methoxy-3,4-dihydro-2H-chromene-3-carbaldehyde
CID 92669931
5-[[3-(4-methyl-1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 163561075
5-[[3-(4,6-dimethyl-1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 163909174
N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578299
(3S)-N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713329

Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dihydro-1H-pyrazol-4-yl)-8-methoxy-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3H-quinazolin-4-one?
The IUPAC name of 6-(4,5-dihydro-1H-pyrazol-4-yl)-8-methoxy-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3H-quinazolin-4-one (CID 136617659) is 6-(4,5-dihydro-1H-pyrazol-4-yl)-8-methoxy-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 6-(4,5-dihydro-1H-pyrazol-4-yl)-8-methoxy-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3H-quinazolin-4-one?
The canonical SMILES for 6-(4,5-dihydro-1H-pyrazol-4-yl)-8-methoxy-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3H-quinazolin-4-one is COc1ccc2c(c1)CC(c1nc3c(OC)cc(C4C=NNC4)cc3c(=O)[nH]1)CO2.
What is the InChIKey of 6-(4,5-dihydro-1H-pyrazol-4-yl)-8-methoxy-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3H-quinazolin-4-one?
The InChIKey is AWERGCJQFFLNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-28-16-3-4-18-13(6-16)5-14(11-30-18)21-25-20-17(22(27)26-21)7-12(8-19(20)29-2)15-9-23-24-10-15/h3-4,6-9,14-15,24H,5,10-11H2,1-2H3,(H,25,26,27).
What are the key properties of 6-(4,5-dihydro-1H-pyrazol-4-yl)-8-methoxy-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3H-quinazolin-4-one?
6-(4,5-dihydro-1H-pyrazol-4-yl)-8-methoxy-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3H-quinazolin-4-one has a molecular weight of 406.44 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dihydro-1H-pyrazol-4-yl)-8-methoxy-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 136617659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).