N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide

C23H34N4O3 — CID 15998067

IUPACN-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide
SMILESCCCCCn1c(=O)[nH]c2cc(C(=O)NCCN3C(C)CCCC3C)ccc2c1=O
InChIInChI=1S/C23H34N4O3/c1-4-5-6-13-27-22(29)19-11-10-18(15-20(19)25-23(27)30)21(28)24-12-14-26-16(2)8-7-9-17(26)3/h10-11,15-17H,4-9,12-14H2,1-3H3,(H,24,28)(H,25,30)
InChIKeyQZYOHMMGLQCTAQ-UHFFFAOYSA-N
MW414.55 g/mol
LogP2.87
Rot. Bonds8

About N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide

N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide (PubChem CID 15998067) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide
PubChem CID15998067
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC NameN-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide
SMILESCCCCCn1c(=O)[nH]c2cc(C(=O)NCCN3C(C)CCCC3C)ccc2c1=O
InChIInChI=1S/C23H34N4O3/c1-4-5-6-13-27-22(29)19-11-10-18(15-20(19)25-23(27)30)21(28)24-12-14-26-16(2)8-7-9-17(26)3/h10-11,15-17H,4-9,12-14H2,1-3H3,(H,24,28)(H,25,30)
InChIKeyQZYOHMMGLQCTAQ-UHFFFAOYSA-N
XLogP2.87
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 166246986
N-[3-(2-ethylpiperidin-1-yl)propyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 22423195
2,4-dioxo-3-(2-phenylethyl)-N-(2-pyrrolidin-1-ylethyl)-1H-quinazoline-7-carboxamide
CID 3241648
7-(4-methylpiperazine-1-carbonyl)-3-pentyl-1H-quinazoline-2,4-dione
CID 15992912
N-(2,3-dimethylcyclohexyl)-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 126478593
N-butyl-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 15988112
methyl 3-[6-(butylamino)-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 4091974
N-cyclopropyl-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide
CID 22423244
3-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 136580955
N-(3-butoxypropyl)-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 27683039
N-[3-(2-ethylpiperidin-1-yl)propyl]-3-[(3-fluorophenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 24804900
3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-ethoxypropyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 3508708

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide (CID 15998067) is N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide is CCCCCn1c(=O)[nH]c2cc(C(=O)NCCN3C(C)CCCC3C)ccc2c1=O.
What is the InChIKey of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide?
The InChIKey is QZYOHMMGLQCTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-4-5-6-13-27-22(29)19-11-10-18(15-20(19)25-23(27)30)21(28)24-12-14-26-16(2)8-7-9-17(26)3/h10-11,15-17H,4-9,12-14H2,1-3H3,(H,24,28)(H,25,30).
What are the key properties of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide?
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 15998067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).