N-cyclopropyl-3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide

C15H17N3O4 — CID 73216741

IUPACN-cyclopropyl-3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide
SMILESCOCCN1C(=O)N=C2C=C(C(=O)NC3CC3)C=CC2C1=O
InChIInChI=1S/C15H17N3O4/c1-22-7-6-18-14(20)11-5-2-9(8-12(11)17-15(18)21)13(19)16-10-3-4-10/h2,5,8,10-11H,3-4,6-7H2,1H3,(H,16,19)
InChIKeyJGGPOFYYFQTMPW-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.43
Rot. Bonds5

About N-cyclopropyl-3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide

N-cyclopropyl-3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide (PubChem CID 73216741) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-cyclopropyl-3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide
PubChem CID73216741
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC NameN-cyclopropyl-3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide
SMILESCOCCN1C(=O)N=C2C=C(C(=O)NC3CC3)C=CC2C1=O
InChIInChI=1S/C15H17N3O4/c1-22-7-6-18-14(20)11-5-2-9(8-12(11)17-15(18)21)13(19)16-10-3-4-10/h2,5,8,10-11H,3-4,6-7H2,1H3,(H,16,19)
InChIKeyJGGPOFYYFQTMPW-UHFFFAOYSA-N
XLogP0.43
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide?
The IUPAC name of N-cyclopropyl-3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide (CID 73216741) is N-cyclopropyl-3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide?
The canonical SMILES for N-cyclopropyl-3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide is COCCN1C(=O)N=C2C=C(C(=O)NC3CC3)C=CC2C1=O.
What is the InChIKey of N-cyclopropyl-3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide?
The InChIKey is JGGPOFYYFQTMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-22-7-6-18-14(20)11-5-2-9(8-12(11)17-15(18)21)13(19)16-10-3-4-10/h2,5,8,10-11H,3-4,6-7H2,1H3,(H,16,19).
What are the key properties of N-cyclopropyl-3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide?
N-cyclopropyl-3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide is sourced from PubChem (CID 73216741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).