7-(1-nitrosoethyl)-3H-quinazolin-4-one

C10H9N3O2 — CID 137028703

IUPAC7-(1-nitrosoethyl)-3H-quinazolin-4-one
SMILESCC(N=O)c1ccc2c(=O)[nH]cnc2c1
InChIInChI=1S/C10H9N3O2/c1-6(13-15)7-2-3-8-9(4-7)11-5-12-10(8)14/h2-6H,1H3,(H,11,12,14)
InChIKeyYIOOFJKVURTTLV-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.75
Rot. Bonds2

About 7-(1-nitrosoethyl)-3H-quinazolin-4-one

7-(1-nitrosoethyl)-3H-quinazolin-4-one (PubChem CID 137028703) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 7-(1-nitrosoethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-(1-nitrosoethyl)-3H-quinazolin-4-one
PubChem CID137028703
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name7-(1-nitrosoethyl)-3H-quinazolin-4-one
SMILESCC(N=O)c1ccc2c(=O)[nH]cnc2c1
InChIInChI=1S/C10H9N3O2/c1-6(13-15)7-2-3-8-9(4-7)11-5-12-10(8)14/h2-6H,1H3,(H,11,12,14)
InChIKeyYIOOFJKVURTTLV-UHFFFAOYSA-N
XLogP1.75
TPSA75.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;7-methyl-3H-quinazolin-4-one
CID 143636831
7-(1,2-dihydroxy-3-sulfanylpropyl)-3H-quinazolin-4-one
CID 170820639
N-(3-methylbutyl)-4-oxo-3H-quinazoline-7-carboxamide
CID 135633054
6-propan-2-ylsulfanyl-3H-quinazolin-4-one
CID 136641879
7-azido-3H-quinazolin-4-one
CID 135788475
7-(2,2-difluoroethyl)-3H-quinazolin-4-one
CID 155734124
molecular hydrogen;7-propan-2-yl-3H-pyrido[4,3-d]pyrimidin-4-one
CID 145188481
methane;3H-quinazolin-4-one
CID 143348425
ethane;iodomethane;3H-quinazolin-4-one
CID 136650915
7-(2-bromoacetyl)-3H-quinazolin-4-one
CID 135714637
7-pyridin-2-yl-3H-quinazolin-4-one
CID 135682059
7-(5-methyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one
CID 135703880

Frequently Asked Questions

What is the IUPAC name of 7-(1-nitrosoethyl)-3H-quinazolin-4-one?
The IUPAC name of 7-(1-nitrosoethyl)-3H-quinazolin-4-one (CID 137028703) is 7-(1-nitrosoethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 7-(1-nitrosoethyl)-3H-quinazolin-4-one?
The canonical SMILES for 7-(1-nitrosoethyl)-3H-quinazolin-4-one is CC(N=O)c1ccc2c(=O)[nH]cnc2c1.
What is the InChIKey of 7-(1-nitrosoethyl)-3H-quinazolin-4-one?
The InChIKey is YIOOFJKVURTTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-6(13-15)7-2-3-8-9(4-7)11-5-12-10(8)14/h2-6H,1H3,(H,11,12,14).
What are the key properties of 7-(1-nitrosoethyl)-3H-quinazolin-4-one?
7-(1-nitrosoethyl)-3H-quinazolin-4-one has a molecular weight of 203.20 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-nitrosoethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 137028703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).