N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide

C17H16N4O3S — CID 47049455

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)Nc3nc(C4CC4)cs3)ccc2c1=O
InChIInChI=1S/C17H16N4O3S/c1-2-21-15(23)11-6-5-10(7-12(11)19-17(21)24)14(22)20-16-18-13(8-25-16)9-3-4-9/h5-9H,2-4H2,1H3,(H,19,24)(H,18,20,22)
InChIKeyCVSDDVISYVDBJW-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.30
Rot. Bonds4

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide (PubChem CID 47049455) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
PubChem CID47049455
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)Nc3nc(C4CC4)cs3)ccc2c1=O
InChIInChI=1S/C17H16N4O3S/c1-2-21-15(23)11-6-5-10(7-12(11)19-17(21)24)14(22)20-16-18-13(8-25-16)9-3-4-9/h5-9H,2-4H2,1H3,(H,19,24)(H,18,20,22)
InChIKeyCVSDDVISYVDBJW-UHFFFAOYSA-N
XLogP2.30
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide (CID 47049455) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide is CCn1c(=O)[nH]c2cc(C(=O)Nc3nc(C4CC4)cs3)ccc2c1=O.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
The InChIKey is CVSDDVISYVDBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-2-21-15(23)11-6-5-10(7-12(11)19-17(21)24)14(22)20-16-18-13(8-25-16)9-3-4-9/h5-9H,2-4H2,1H3,(H,19,24)(H,18,20,22).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 47049455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).