N-(cyclopropylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine

C14H15N3O2S — CID 59344996

IUPACN-(cyclopropylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
SMILESO=S1(=O)CCc2c1ccc1ncnc(NCC3CC3)c21
InChIInChI=1S/C14H15N3O2S/c18-20(19)6-5-10-12(20)4-3-11-13(10)14(17-8-16-11)15-7-9-1-2-9/h3-4,8-9H,1-2,5-7H2,(H,15,16,17)
InChIKeyRHXJYRFEYIKOEJ-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.78
Rot. Bonds3

About N-(cyclopropylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine

N-(cyclopropylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine (PubChem CID 59344996) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
PubChem CID59344996
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-(cyclopropylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
SMILESO=S1(=O)CCc2c1ccc1ncnc(NCC3CC3)c21
InChIInChI=1S/C14H15N3O2S/c18-20(19)6-5-10-12(20)4-3-11-13(10)14(17-8-16-11)15-7-9-1-2-9/h3-4,8-9H,1-2,5-7H2,(H,15,16,17)
InChIKeyRHXJYRFEYIKOEJ-UHFFFAOYSA-N
XLogP1.78
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine (CID 59344996) is N-(cyclopropylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine is O=S1(=O)CCc2c1ccc1ncnc(NCC3CC3)c21.
What is the InChIKey of N-(cyclopropylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
The InChIKey is RHXJYRFEYIKOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c18-20(19)6-5-10-12(20)4-3-11-13(10)14(17-8-16-11)15-7-9-1-2-9/h3-4,8-9H,1-2,5-7H2,(H,15,16,17).
What are the key properties of N-(cyclopropylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
N-(cyclopropylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine has a molecular weight of 289.36 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine is sourced from PubChem (CID 59344996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).