2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-7-(1H-pyrazol-4-yl)-3H-quinazolin-4-one

C21H18N4O3 — CID 135894313

IUPAC2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-7-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
SMILESCOc1ccc2c(c1)CC(c1nc3cc(-c4cn[nH]c4)ccc3c(=O)[nH]1)CO2
InChIInChI=1S/C21H18N4O3/c1-27-16-3-5-19-13(7-16)6-14(11-28-19)20-24-18-8-12(15-9-22-23-10-15)2-4-17(18)21(26)25-20/h2-5,7-10,14H,6,11H2,1H3,(H,22,23)(H,24,25,26)
InChIKeyZNNANSRGPIUCCL-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.04
Rot. Bonds3

About 2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-7-(1H-pyrazol-4-yl)-3H-quinazolin-4-one

2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-7-(1H-pyrazol-4-yl)-3H-quinazolin-4-one (PubChem CID 135894313) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-7-(1H-pyrazol-4-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-7-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
PubChem CID135894313
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-7-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
SMILESCOc1ccc2c(c1)CC(c1nc3cc(-c4cn[nH]c4)ccc3c(=O)[nH]1)CO2
InChIInChI=1S/C21H18N4O3/c1-27-16-3-5-19-13(7-16)6-14(11-28-19)20-24-18-8-12(15-9-22-23-10-15)2-4-17(18)21(26)25-20/h2-5,7-10,14H,6,11H2,1H3,(H,22,23)(H,24,25,26)
InChIKeyZNNANSRGPIUCCL-UHFFFAOYSA-N
XLogP3.04
TPSA92.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-7-(1H-pyrazol-4-yl)-3H-quinazolin-4-one?
The IUPAC name of 2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-7-(1H-pyrazol-4-yl)-3H-quinazolin-4-one (CID 135894313) is 2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-7-(1H-pyrazol-4-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-7-(1H-pyrazol-4-yl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-7-(1H-pyrazol-4-yl)-3H-quinazolin-4-one is COc1ccc2c(c1)CC(c1nc3cc(-c4cn[nH]c4)ccc3c(=O)[nH]1)CO2.
What is the InChIKey of 2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-7-(1H-pyrazol-4-yl)-3H-quinazolin-4-one?
The InChIKey is ZNNANSRGPIUCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-27-16-3-5-19-13(7-16)6-14(11-28-19)20-24-18-8-12(15-9-22-23-10-15)2-4-17(18)21(26)25-20/h2-5,7-10,14H,6,11H2,1H3,(H,22,23)(H,24,25,26).
What are the key properties of 2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-7-(1H-pyrazol-4-yl)-3H-quinazolin-4-one?
2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-7-(1H-pyrazol-4-yl)-3H-quinazolin-4-one has a molecular weight of 374.40 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-7-(1H-pyrazol-4-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 135894313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).