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

C26H32N4O4 — CID 24804570

IUPACN-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCC1CCCCN1CCNC(=O)c1ccc2c(=O)n(Cc3cccc(OC)c3)c(=O)[nH]c2c1
InChIInChI=1S/C26H32N4O4/c1-3-20-8-4-5-13-29(20)14-12-27-24(31)19-10-11-22-23(16-19)28-26(33)30(25(22)32)17-18-7-6-9-21(15-18)34-2/h6-7,9-11,15-16,20H,3-5,8,12-14,17H2,1-2H3,(H,27,31)(H,28,33)
InChIKeyDLTSQCJXEGZZQM-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.74
Rot. Bonds8

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

N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide (PubChem CID 24804570) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
PubChem CID24804570
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC NameN-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCC1CCCCN1CCNC(=O)c1ccc2c(=O)n(Cc3cccc(OC)c3)c(=O)[nH]c2c1
InChIInChI=1S/C26H32N4O4/c1-3-20-8-4-5-13-29(20)14-12-27-24(31)19-10-11-22-23(16-19)28-26(33)30(25(22)32)17-18-7-6-9-21(15-18)34-2/h6-7,9-11,15-16,20H,3-5,8,12-14,17H2,1-2H3,(H,27,31)(H,28,33)
InChIKeyDLTSQCJXEGZZQM-UHFFFAOYSA-N
XLogP2.74
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide?
The IUPAC name of N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide (CID 24804570) is N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide.
What is the SMILES notation for N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide?
The canonical SMILES for N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide is CCC1CCCCN1CCNC(=O)c1ccc2c(=O)n(Cc3cccc(OC)c3)c(=O)[nH]c2c1.
What is the InChIKey of N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide?
The InChIKey is DLTSQCJXEGZZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-3-20-8-4-5-13-29(20)14-12-27-24(31)19-10-11-22-23(16-19)28-26(33)30(25(22)32)17-18-7-6-9-21(15-18)34-2/h6-7,9-11,15-16,20H,3-5,8,12-14,17H2,1-2H3,(H,27,31)(H,28,33).
What are the key properties of N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide?
N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 24804570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).