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

C20H16N4O2 — CID 135894328

IUPAC2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2COc3ccccc3C2)nc2ccc(-c3cn[nH]c3)cc12
InChIInChI=1S/C20H16N4O2/c25-20-16-8-12(15-9-21-22-10-15)5-6-17(16)23-19(24-20)14-7-13-3-1-2-4-18(13)26-11-14/h1-6,8-10,14H,7,11H2,(H,21,22)(H,23,24,25)
InChIKeyTYLKFPTUXCTUBD-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.03
Rot. Bonds2

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

2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one (PubChem CID 135894328) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
PubChem CID135894328
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2COc3ccccc3C2)nc2ccc(-c3cn[nH]c3)cc12
InChIInChI=1S/C20H16N4O2/c25-20-16-8-12(15-9-21-22-10-15)5-6-17(16)23-19(24-20)14-7-13-3-1-2-4-18(13)26-11-14/h1-6,8-10,14H,7,11H2,(H,21,22)(H,23,24,25)
InChIKeyTYLKFPTUXCTUBD-UHFFFAOYSA-N
XLogP3.03
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-fluoro-3,4-dihydro-2H-1-benzopyran-3-yl)-6-(1H-pyrazol-4-yl)-3,4-dihydroquinazolin-4-one
CID 136141557
N-(2-methoxyethyl)-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 135894347
N-cyclopropyl-3-(4-oxo-6-(1H-pyrazol-4-yl)-3,4-dihydroquinazolin-2-yl)chroman-6-carboxamide
CID 135894349
3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-N-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 135894350
N-(2-morpholin-4-ylethyl)-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 135894352
2-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 136030684
N-[2-(dimethylamino)ethyl]-3-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 136044172
2-(6-fluorochroman-3-yl)-8-methoxy-6-(1H-pyrazol-4-yl)quinazolin-4(3H)-one
CID 136188830
8-methoxy-2-((3-methoxyphenoxy)methyl)-6-(1H-pyrazol-4-yl)quinazolin-4(3H)-one
CID 136188832
N-(4-(1H-pyrazol-4-yl)phenyl)chroman-3-carboxamide
CID 25154768
N-(4-(1H-pyrazol-4-yl)phenyl)-6-(4-methylpiperazine-1-carbonyl)chroman-3-carboxamide
CID 44124778
methyl 3-(4-(1H-pyrazol-4-yl)phenylcarbamoyl)chroman-6-carboxylate
CID 44571469

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one (CID 135894328) is 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one is O=c1[nH]c(C2COc3ccccc3C2)nc2ccc(-c3cn[nH]c3)cc12.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one?
The InChIKey is TYLKFPTUXCTUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c25-20-16-8-12(15-9-21-22-10-15)5-6-17(16)23-19(24-20)14-7-13-3-1-2-4-18(13)26-11-14/h1-6,8-10,14H,7,11H2,(H,21,22)(H,23,24,25).
What are the key properties of 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one?
2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one has a molecular weight of 344.37 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 135894328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).