1-(cyclopropylmethyl)-7-fluoro-6-(1-methylcyclopropyl)sulfinamoyloxy-2,4-dioxoquinazoline

C16H18FN3O4S — CID 169187211

IUPAC1-(cyclopropylmethyl)-7-fluoro-6-(1-methylcyclopropyl)sulfinamoyloxy-2,4-dioxoquinazoline
SMILESCC1(NS(=O)Oc2cc3c(=O)[nH]c(=O)n(CC4CC4)c3cc2F)CC1
InChIInChI=1S/C16H18FN3O4S/c1-16(4-5-16)19-25(23)24-13-6-10-12(7-11(13)17)20(8-9-2-3-9)15(22)18-14(10)21/h6-7,9,19H,2-5,8H2,1H3,(H,18,21,22)
InChIKeyGXBWVUOIYVAVRZ-UHFFFAOYSA-N
MW367.40 g/mol
LogP1.34
Rot. Bonds6

About 1-(cyclopropylmethyl)-7-fluoro-6-(1-methylcyclopropyl)sulfinamoyloxy-2,4-dioxoquinazoline

1-(cyclopropylmethyl)-7-fluoro-6-(1-methylcyclopropyl)sulfinamoyloxy-2,4-dioxoquinazoline (PubChem CID 169187211) has the molecular formula C16H18FN3O4S and a molecular weight of 367.40 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-7-fluoro-6-(1-methylcyclopropyl)sulfinamoyloxy-2,4-dioxoquinazoline.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-7-fluoro-6-(1-methylcyclopropyl)sulfinamoyloxy-2,4-dioxoquinazoline
PubChem CID169187211
Molecular FormulaC16H18FN3O4S
Molecular Weight367.40 g/mol
Exact Mass367.10
IUPAC Name1-(cyclopropylmethyl)-7-fluoro-6-(1-methylcyclopropyl)sulfinamoyloxy-2,4-dioxoquinazoline
SMILESCC1(NS(=O)Oc2cc3c(=O)[nH]c(=O)n(CC4CC4)c3cc2F)CC1
InChIInChI=1S/C16H18FN3O4S/c1-16(4-5-16)19-25(23)24-13-6-10-12(7-11(13)17)20(8-9-2-3-9)15(22)18-14(10)21/h6-7,9,19H,2-5,8H2,1H3,(H,18,21,22)
InChIKeyGXBWVUOIYVAVRZ-UHFFFAOYSA-N
XLogP1.34
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-7-fluoro-6-(1-methylcyclopropyl)sulfinamoyloxy-2,4-dioxoquinazoline?
The IUPAC name of 1-(cyclopropylmethyl)-7-fluoro-6-(1-methylcyclopropyl)sulfinamoyloxy-2,4-dioxoquinazoline (CID 169187211) is 1-(cyclopropylmethyl)-7-fluoro-6-(1-methylcyclopropyl)sulfinamoyloxy-2,4-dioxoquinazoline.
What is the SMILES notation for 1-(cyclopropylmethyl)-7-fluoro-6-(1-methylcyclopropyl)sulfinamoyloxy-2,4-dioxoquinazoline?
The canonical SMILES for 1-(cyclopropylmethyl)-7-fluoro-6-(1-methylcyclopropyl)sulfinamoyloxy-2,4-dioxoquinazoline is CC1(NS(=O)Oc2cc3c(=O)[nH]c(=O)n(CC4CC4)c3cc2F)CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-7-fluoro-6-(1-methylcyclopropyl)sulfinamoyloxy-2,4-dioxoquinazoline?
The InChIKey is GXBWVUOIYVAVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O4S/c1-16(4-5-16)19-25(23)24-13-6-10-12(7-11(13)17)20(8-9-2-3-9)15(22)18-14(10)21/h6-7,9,19H,2-5,8H2,1H3,(H,18,21,22).
What are the key properties of 1-(cyclopropylmethyl)-7-fluoro-6-(1-methylcyclopropyl)sulfinamoyloxy-2,4-dioxoquinazoline?
1-(cyclopropylmethyl)-7-fluoro-6-(1-methylcyclopropyl)sulfinamoyloxy-2,4-dioxoquinazoline has a molecular weight of 367.40 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-7-fluoro-6-(1-methylcyclopropyl)sulfinamoyloxy-2,4-dioxoquinazoline is sourced from PubChem (CID 169187211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).