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

C22H32N4O4 — CID 22423195

IUPACN-[3-(2-ethylpiperidin-1-yl)propyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCC1CCCCN1CCCNC(=O)c1ccc2c(=O)n(CCOC)c(=O)[nH]c2c1
InChIInChI=1S/C22H32N4O4/c1-3-17-7-4-5-11-25(17)12-6-10-23-20(27)16-8-9-18-19(15-16)24-22(29)26(21(18)28)13-14-30-2/h8-9,15,17H,3-7,10-14H2,1-2H3,(H,23,27)(H,24,29)
InChIKeyMDWQFTYRLQRVOP-UHFFFAOYSA-N
MW416.52 g/mol
LogP1.72
Rot. Bonds9

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

N-[3-(2-ethylpiperidin-1-yl)propyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide (PubChem CID 22423195) has the molecular formula C22H32N4O4 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[3-(2-ethylpiperidin-1-yl)propyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethylpiperidin-1-yl)propyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
PubChem CID22423195
Molecular FormulaC22H32N4O4
Molecular Weight416.52 g/mol
Exact Mass416.24
IUPAC NameN-[3-(2-ethylpiperidin-1-yl)propyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCC1CCCCN1CCCNC(=O)c1ccc2c(=O)n(CCOC)c(=O)[nH]c2c1
InChIInChI=1S/C22H32N4O4/c1-3-17-7-4-5-11-25(17)12-6-10-23-20(27)16-8-9-18-19(15-16)24-22(29)26(21(18)28)13-14-30-2/h8-9,15,17H,3-7,10-14H2,1-2H3,(H,23,27)(H,24,29)
InChIKeyMDWQFTYRLQRVOP-UHFFFAOYSA-N
XLogP1.72
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-ethylpiperidin-1-yl)propyl]-3-[(3-fluorophenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 24804900
N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide
CID 133167577
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 121020861
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide
CID 15998067
N-[3-(2-ethylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
CID 143609530
N-[3-(diethylamino)propyl]-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 3426136
3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-ethoxypropyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 3508708
3-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide
CID 28577865
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]pyridine-3-carboxamide
CID 100629368
2,4-dioxo-3-(2-phenylethyl)-N-(2-pyrrolidin-1-ylethyl)-1H-quinazoline-7-carboxamide
CID 3241648
N-[3-(2-ethylpiperidin-1-yl)propyl]indolizine-2-carboxamide
CID 46388323
3-ethyl-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 166246986

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide?
The IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide (CID 22423195) is N-[3-(2-ethylpiperidin-1-yl)propyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide.
What is the SMILES notation for N-[3-(2-ethylpiperidin-1-yl)propyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide?
The canonical SMILES for N-[3-(2-ethylpiperidin-1-yl)propyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide is CCC1CCCCN1CCCNC(=O)c1ccc2c(=O)n(CCOC)c(=O)[nH]c2c1.
What is the InChIKey of N-[3-(2-ethylpiperidin-1-yl)propyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide?
The InChIKey is MDWQFTYRLQRVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4/c1-3-17-7-4-5-11-25(17)12-6-10-23-20(27)16-8-9-18-19(15-16)24-22(29)26(21(18)28)13-14-30-2/h8-9,15,17H,3-7,10-14H2,1-2H3,(H,23,27)(H,24,29).
What are the key properties of N-[3-(2-ethylpiperidin-1-yl)propyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide?
N-[3-(2-ethylpiperidin-1-yl)propyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 1.72, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylpiperidin-1-yl)propyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 22423195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).