1-[3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carbonyl]piperidine-4-carboxamide

C18H22N4O5 — CID 73217660

IUPAC1-[3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carbonyl]piperidine-4-carboxamide
SMILESCOCCN1C(=O)N=C2C=C(C(=O)N3CCC(C(N)=O)CC3)C=CC2C1=O
InChIInChI=1S/C18H22N4O5/c1-27-9-8-22-17(25)13-3-2-12(10-14(13)20-18(22)26)16(24)21-6-4-11(5-7-21)15(19)23/h2-3,10-11,13H,4-9H2,1H3,(H2,19,23)
InChIKeyJEZKSGGIHJBOGD-UHFFFAOYSA-N
MW374.40 g/mol
LogP-0.13
Rot. Bonds5

About 1-[3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carbonyl]piperidine-4-carboxamide

1-[3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carbonyl]piperidine-4-carboxamide (PubChem CID 73217660) has the molecular formula C18H22N4O5 and a molecular weight of 374.40 g/mol. Its IUPAC name is 1-[3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carbonyl]piperidine-4-carboxamide
PubChem CID73217660
Molecular FormulaC18H22N4O5
Molecular Weight374.40 g/mol
Exact Mass374.16
IUPAC Name1-[3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carbonyl]piperidine-4-carboxamide
SMILESCOCCN1C(=O)N=C2C=C(C(=O)N3CCC(C(N)=O)CC3)C=CC2C1=O
InChIInChI=1S/C18H22N4O5/c1-27-9-8-22-17(25)13-3-2-12(10-14(13)20-18(22)26)16(24)21-6-4-11(5-7-21)15(19)23/h2-3,10-11,13H,4-9H2,1H3,(H2,19,23)
InChIKeyJEZKSGGIHJBOGD-UHFFFAOYSA-N
XLogP-0.13
TPSA122.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carbonyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carbonyl]piperidine-4-carboxamide (CID 73217660) is 1-[3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carbonyl]piperidine-4-carboxamide is COCCN1C(=O)N=C2C=C(C(=O)N3CCC(C(N)=O)CC3)C=CC2C1=O.
What is the InChIKey of 1-[3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carbonyl]piperidine-4-carboxamide?
The InChIKey is JEZKSGGIHJBOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5/c1-27-9-8-22-17(25)13-3-2-12(10-14(13)20-18(22)26)16(24)21-6-4-11(5-7-21)15(19)23/h2-3,10-11,13H,4-9H2,1H3,(H2,19,23).
What are the key properties of 1-[3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carbonyl]piperidine-4-carboxamide?
1-[3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carbonyl]piperidine-4-carboxamide has a molecular weight of 374.40 g/mol, XLogP of -0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 73217660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).