2-methoxy-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C9H12N2O2 — CID 135995422

IUPAC2-methoxy-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCOc1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C9H12N2O2/c1-13-9-10-7-5-3-2-4-6(7)8(12)11-9/h2-5H2,1H3,(H,10,11,12)
InChIKeySZAFMUIQNJLKCH-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.66
Rot. Bonds1

About 2-methoxy-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-methoxy-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 135995422) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-methoxy-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-methoxy-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID135995422
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-methoxy-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCOc1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C9H12N2O2/c1-13-9-10-7-5-3-2-4-6(7)8(12)11-9/h2-5H2,1H3,(H,10,11,12)
InChIKeySZAFMUIQNJLKCH-UHFFFAOYSA-N
XLogP0.66
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975246
2-(1-methoxycyclopentyl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 136773820
2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135830947
2-[4-(dimethylamino)phenoxy]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137174700
2-(2-methoxybutan-2-yl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 136963754
2-iodo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136981066
2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136963703
2-[1-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136780121
2-(4-fluoro-3-methoxyphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136889662
2-[2-(methylamino)ethyl]-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975333
2-[4-(3-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135644892
2-butylsulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135617884

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-methoxy-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 135995422) is 2-methoxy-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-methoxy-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-methoxy-5,6,7,8-tetrahydro-3H-quinazolin-4-one is COc1nc2c(c(=O)[nH]1)CCCC2.
What is the InChIKey of 2-methoxy-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is SZAFMUIQNJLKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-13-9-10-7-5-3-2-4-6(7)8(12)11-9/h2-5H2,1H3,(H,10,11,12).
What are the key properties of 2-methoxy-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-methoxy-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 180.21 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 135995422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).