N-[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]benzamide

C28H28N4O4 — CID 135939097

IUPACN-[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]benzamide
SMILESCOc1cc(OC)c2c(=O)[nH]c(-c3ccc(N4CCC(NC(=O)c5ccccc5)CC4)cc3)nc2c1
InChIInChI=1S/C28H28N4O4/c1-35-22-16-23-25(24(17-22)36-2)28(34)31-26(30-23)18-8-10-21(11-9-18)32-14-12-20(13-15-32)29-27(33)19-6-4-3-5-7-19/h3-11,16-17,20H,12-15H2,1-2H3,(H,29,33)(H,30,31,34)
InChIKeyOJUSZXGBGZPNIX-UHFFFAOYSA-N
MW484.56 g/mol
LogP4.01
Rot. Bonds6

About N-[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]benzamide

N-[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]benzamide (PubChem CID 135939097) has the molecular formula C28H28N4O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is N-[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]benzamide
PubChem CID135939097
Molecular FormulaC28H28N4O4
Molecular Weight484.56 g/mol
Exact Mass484.21
IUPAC NameN-[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]benzamide
SMILESCOc1cc(OC)c2c(=O)[nH]c(-c3ccc(N4CCC(NC(=O)c5ccccc5)CC4)cc3)nc2c1
InChIInChI=1S/C28H28N4O4/c1-35-22-16-23-25(24(17-22)36-2)28(34)31-26(30-23)18-8-10-21(11-9-18)32-14-12-20(13-15-32)29-27(33)19-6-4-3-5-7-19/h3-11,16-17,20H,12-15H2,1-2H3,(H,29,33)(H,30,31,34)
InChIKeyOJUSZXGBGZPNIX-UHFFFAOYSA-N
XLogP4.01
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]piperidin-4-yl]-3-methylbutanamide
CID 174654241
2-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]phenyl]-5,7-dimethoxy-3H-quinazolin-4-one
CID 135939108
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]benzamide
CID 71863722
5-[[[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168872212
2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 166633689
2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-3H-benzimidazole-5-carboxamide
CID 10113332
5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one
CID 166629023
N-[1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]benzamide
CID 33104690
4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528146
4-methoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108548880
3-[5-[8-[[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175880275
4-methoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]benzamide
CID 91924018

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]benzamide (CID 135939097) is N-[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]benzamide is COc1cc(OC)c2c(=O)[nH]c(-c3ccc(N4CCC(NC(=O)c5ccccc5)CC4)cc3)nc2c1.
What is the InChIKey of N-[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]benzamide?
The InChIKey is OJUSZXGBGZPNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4/c1-35-22-16-23-25(24(17-22)36-2)28(34)31-26(30-23)18-8-10-21(11-9-18)32-14-12-20(13-15-32)29-27(33)19-6-4-3-5-7-19/h3-11,16-17,20H,12-15H2,1-2H3,(H,29,33)(H,30,31,34).
What are the key properties of N-[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]benzamide?
N-[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]benzamide has a molecular weight of 484.56 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 135939097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).