N-[3-(2-ethylpiperidin-1-yl)propyl]-3-[(3-fluorophenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide

C26H31FN4O3 — CID 24804900

IUPACN-[3-(2-ethylpiperidin-1-yl)propyl]-3-[(3-fluorophenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCC1CCCCN1CCCNC(=O)c1ccc2c(=O)n(Cc3cccc(F)c3)c(=O)[nH]c2c1
InChIInChI=1S/C26H31FN4O3/c1-2-21-9-3-4-13-30(21)14-6-12-28-24(32)19-10-11-22-23(16-19)29-26(34)31(25(22)33)17-18-7-5-8-20(27)15-18/h5,7-8,10-11,15-16,21H,2-4,6,9,12-14,17H2,1H3,(H,28,32)(H,29,34)
InChIKeyBTRRUKAWLHIOMQ-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.26
Rot. Bonds8

About N-[3-(2-ethylpiperidin-1-yl)propyl]-3-[(3-fluorophenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide

N-[3-(2-ethylpiperidin-1-yl)propyl]-3-[(3-fluorophenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide (PubChem CID 24804900) has the molecular formula C26H31FN4O3 and a molecular weight of 466.56 g/mol. Its IUPAC name is N-[3-(2-ethylpiperidin-1-yl)propyl]-3-[(3-fluorophenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethylpiperidin-1-yl)propyl]-3-[(3-fluorophenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
PubChem CID24804900
Molecular FormulaC26H31FN4O3
Molecular Weight466.56 g/mol
Exact Mass466.24
IUPAC NameN-[3-(2-ethylpiperidin-1-yl)propyl]-3-[(3-fluorophenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCC1CCCCN1CCCNC(=O)c1ccc2c(=O)n(Cc3cccc(F)c3)c(=O)[nH]c2c1
InChIInChI=1S/C26H31FN4O3/c1-2-21-9-3-4-13-30(21)14-6-12-28-24(32)19-10-11-22-23(16-19)29-26(34)31(25(22)33)17-18-7-5-8-20(27)15-18/h5,7-8,10-11,15-16,21H,2-4,6,9,12-14,17H2,1H3,(H,28,32)(H,29,34)
InChIKeyBTRRUKAWLHIOMQ-UHFFFAOYSA-N
XLogP3.26
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(2-ethylpiperidin-1-yl)propyl]-3-[(3-fluorophenyl)methyl]-2,4-dioxo-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

Related Compounds

N-[3-(2-ethylpiperidin-1-yl)propyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 22423195
3-[(3-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 24804732
N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide
CID 133167577
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)acetamide
CID 133202306
N-[3-(2-ethylpiperidin-1-yl)propyl]-5-[(4-fluorophenyl)methyl]-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 20860958
2-[(4-bromophenyl)methyl]-N-[3-(2-ethylpiperidin-1-yl)propyl]-3-hydroxyisoindole-5-carboxamide
CID 90800740
N-[3-(2-ethylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
CID 143609530
4-[(2-chloro-6-fluorophenyl)methyl]-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 92505371
N-butyl-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 15988112
3-ethyl-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 166246986
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969125
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide
CID 15998067

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-3-[(3-fluorophenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide?
The IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-3-[(3-fluorophenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide (CID 24804900) is N-[3-(2-ethylpiperidin-1-yl)propyl]-3-[(3-fluorophenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide.
What is the SMILES notation for N-[3-(2-ethylpiperidin-1-yl)propyl]-3-[(3-fluorophenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide?
The canonical SMILES for N-[3-(2-ethylpiperidin-1-yl)propyl]-3-[(3-fluorophenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide is CCC1CCCCN1CCCNC(=O)c1ccc2c(=O)n(Cc3cccc(F)c3)c(=O)[nH]c2c1.
What is the InChIKey of N-[3-(2-ethylpiperidin-1-yl)propyl]-3-[(3-fluorophenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide?
The InChIKey is BTRRUKAWLHIOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O3/c1-2-21-9-3-4-13-30(21)14-6-12-28-24(32)19-10-11-22-23(16-19)29-26(34)31(25(22)33)17-18-7-5-8-20(27)15-18/h5,7-8,10-11,15-16,21H,2-4,6,9,12-14,17H2,1H3,(H,28,32)(H,29,34).
What are the key properties of N-[3-(2-ethylpiperidin-1-yl)propyl]-3-[(3-fluorophenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide?
N-[3-(2-ethylpiperidin-1-yl)propyl]-3-[(3-fluorophenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide has a molecular weight of 466.56 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylpiperidin-1-yl)propyl]-3-[(3-fluorophenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 24804900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).