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

C16H19FN4O4S — CID 169187124

IUPAC3-amino-1-(cyclopropylmethyl)-7-fluoro-6-(1-methylcyclopropyl)sulfinamoyloxy-2,4-dioxoquinazoline
SMILESCC1(NS(=O)Oc2cc3c(=O)n(N)c(=O)n(CC4CC4)c3cc2F)CC1
InChIInChI=1S/C16H19FN4O4S/c1-16(4-5-16)19-26(24)25-13-6-10-12(7-11(13)17)20(8-9-2-3-9)15(23)21(18)14(10)22/h6-7,9,19H,2-5,8,18H2,1H3
InChIKeyIYJMYCOANAXOQX-UHFFFAOYSA-N
MW382.42 g/mol
LogP0.53
Rot. Bonds6

About 3-amino-1-(cyclopropylmethyl)-7-fluoro-6-(1-methylcyclopropyl)sulfinamoyloxy-2,4-dioxoquinazoline

3-amino-1-(cyclopropylmethyl)-7-fluoro-6-(1-methylcyclopropyl)sulfinamoyloxy-2,4-dioxoquinazoline (PubChem CID 169187124) has the molecular formula C16H19FN4O4S and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-amino-1-(cyclopropylmethyl)-7-fluoro-6-(1-methylcyclopropyl)sulfinamoyloxy-2,4-dioxoquinazoline.

Molecular Properties

Compound Name3-amino-1-(cyclopropylmethyl)-7-fluoro-6-(1-methylcyclopropyl)sulfinamoyloxy-2,4-dioxoquinazoline
PubChem CID169187124
Molecular FormulaC16H19FN4O4S
Molecular Weight382.42 g/mol
Exact Mass382.11
IUPAC Name3-amino-1-(cyclopropylmethyl)-7-fluoro-6-(1-methylcyclopropyl)sulfinamoyloxy-2,4-dioxoquinazoline
SMILESCC1(NS(=O)Oc2cc3c(=O)n(N)c(=O)n(CC4CC4)c3cc2F)CC1
InChIInChI=1S/C16H19FN4O4S/c1-16(4-5-16)19-26(24)25-13-6-10-12(7-11(13)17)20(8-9-2-3-9)15(23)21(18)14(10)22/h6-7,9,19H,2-5,8,18H2,1H3
InChIKeyIYJMYCOANAXOQX-UHFFFAOYSA-N
XLogP0.53
TPSA108.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(cyclopropylmethyl)-7-fluoro-6-(1-methylcyclopropyl)sulfinamoyloxy-2,4-dioxoquinazoline?
The IUPAC name of 3-amino-1-(cyclopropylmethyl)-7-fluoro-6-(1-methylcyclopropyl)sulfinamoyloxy-2,4-dioxoquinazoline (CID 169187124) is 3-amino-1-(cyclopropylmethyl)-7-fluoro-6-(1-methylcyclopropyl)sulfinamoyloxy-2,4-dioxoquinazoline.
What is the SMILES notation for 3-amino-1-(cyclopropylmethyl)-7-fluoro-6-(1-methylcyclopropyl)sulfinamoyloxy-2,4-dioxoquinazoline?
The canonical SMILES for 3-amino-1-(cyclopropylmethyl)-7-fluoro-6-(1-methylcyclopropyl)sulfinamoyloxy-2,4-dioxoquinazoline is CC1(NS(=O)Oc2cc3c(=O)n(N)c(=O)n(CC4CC4)c3cc2F)CC1.
What is the InChIKey of 3-amino-1-(cyclopropylmethyl)-7-fluoro-6-(1-methylcyclopropyl)sulfinamoyloxy-2,4-dioxoquinazoline?
The InChIKey is IYJMYCOANAXOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O4S/c1-16(4-5-16)19-26(24)25-13-6-10-12(7-11(13)17)20(8-9-2-3-9)15(23)21(18)14(10)22/h6-7,9,19H,2-5,8,18H2,1H3.
What are the key properties of 3-amino-1-(cyclopropylmethyl)-7-fluoro-6-(1-methylcyclopropyl)sulfinamoyloxy-2,4-dioxoquinazoline?
3-amino-1-(cyclopropylmethyl)-7-fluoro-6-(1-methylcyclopropyl)sulfinamoyloxy-2,4-dioxoquinazoline has a molecular weight of 382.42 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(cyclopropylmethyl)-7-fluoro-6-(1-methylcyclopropyl)sulfinamoyloxy-2,4-dioxoquinazoline is sourced from PubChem (CID 169187124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).