3-cyclohexyl-2,4-dioxo-N-(2-piperidin-1-ylethyl)-1H-quinazoline-7-carboxamide

C22H30N4O3 — CID 25196633

IUPAC3-cyclohexyl-2,4-dioxo-N-(2-piperidin-1-ylethyl)-1H-quinazoline-7-carboxamide
SMILESO=C(NCCN1CCCCC1)c1ccc2c(=O)n(C3CCCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C22H30N4O3/c27-20(23-11-14-25-12-5-2-6-13-25)16-9-10-18-19(15-16)24-22(29)26(21(18)28)17-7-3-1-4-8-17/h9-10,15,17H,1-8,11-14H2,(H,23,27)(H,24,29)
InChIKeyNNJAFUNKEIDAAF-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.41
Rot. Bonds5

About 3-cyclohexyl-2,4-dioxo-N-(2-piperidin-1-ylethyl)-1H-quinazoline-7-carboxamide

3-cyclohexyl-2,4-dioxo-N-(2-piperidin-1-ylethyl)-1H-quinazoline-7-carboxamide (PubChem CID 25196633) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-cyclohexyl-2,4-dioxo-N-(2-piperidin-1-ylethyl)-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name3-cyclohexyl-2,4-dioxo-N-(2-piperidin-1-ylethyl)-1H-quinazoline-7-carboxamide
PubChem CID25196633
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name3-cyclohexyl-2,4-dioxo-N-(2-piperidin-1-ylethyl)-1H-quinazoline-7-carboxamide
SMILESO=C(NCCN1CCCCC1)c1ccc2c(=O)n(C3CCCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C22H30N4O3/c27-20(23-11-14-25-12-5-2-6-13-25)16-9-10-18-19(15-16)24-22(29)26(21(18)28)17-7-3-1-4-8-17/h9-10,15,17H,1-8,11-14H2,(H,23,27)(H,24,29)
InChIKeyNNJAFUNKEIDAAF-UHFFFAOYSA-N
XLogP2.41
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-cyclohexyl-2,4-dioxo-N-(2-piperidin-1-ylethyl)-1H-quinazoline-7-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 3-cyclohexyl-2,4-dioxo-N-(2-piperidin-1-ylethyl)-1H-quinazoline-7-carboxamide?
The IUPAC name of 3-cyclohexyl-2,4-dioxo-N-(2-piperidin-1-ylethyl)-1H-quinazoline-7-carboxamide (CID 25196633) is 3-cyclohexyl-2,4-dioxo-N-(2-piperidin-1-ylethyl)-1H-quinazoline-7-carboxamide.
What is the SMILES notation for 3-cyclohexyl-2,4-dioxo-N-(2-piperidin-1-ylethyl)-1H-quinazoline-7-carboxamide?
The canonical SMILES for 3-cyclohexyl-2,4-dioxo-N-(2-piperidin-1-ylethyl)-1H-quinazoline-7-carboxamide is O=C(NCCN1CCCCC1)c1ccc2c(=O)n(C3CCCCC3)c(=O)[nH]c2c1.
What is the InChIKey of 3-cyclohexyl-2,4-dioxo-N-(2-piperidin-1-ylethyl)-1H-quinazoline-7-carboxamide?
The InChIKey is NNJAFUNKEIDAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c27-20(23-11-14-25-12-5-2-6-13-25)16-9-10-18-19(15-16)24-22(29)26(21(18)28)17-7-3-1-4-8-17/h9-10,15,17H,1-8,11-14H2,(H,23,27)(H,24,29).
What are the key properties of 3-cyclohexyl-2,4-dioxo-N-(2-piperidin-1-ylethyl)-1H-quinazoline-7-carboxamide?
3-cyclohexyl-2,4-dioxo-N-(2-piperidin-1-ylethyl)-1H-quinazoline-7-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2,4-dioxo-N-(2-piperidin-1-ylethyl)-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 25196633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).