N-[(2,4-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide

C24H28N4O3 — CID 46349740

IUPACN-[(2,4-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc(N3CCC(C)CC3)c3ccccc3n2)c(OC)c1
InChIInChI=1S/C24H28N4O3/c1-16-10-12-28(13-11-16)23-19-6-4-5-7-20(19)26-22(27-23)24(29)25-15-17-8-9-18(30-2)14-21(17)31-3/h4-9,14,16H,10-13,15H2,1-3H3,(H,25,29)
InChIKeyDXWZVTIEVSTZNZ-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.81
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide (PubChem CID 46349740) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide
PubChem CID46349740
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc(N3CCC(C)CC3)c3ccccc3n2)c(OC)c1
InChIInChI=1S/C24H28N4O3/c1-16-10-12-28(13-11-16)23-19-6-4-5-7-20(19)26-22(27-23)24(29)25-15-17-8-9-18(30-2)14-21(17)31-3/h4-9,14,16H,10-13,15H2,1-3H3,(H,25,29)
InChIKeyDXWZVTIEVSTZNZ-UHFFFAOYSA-N
XLogP3.81
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide
CID 53012888
2-(2,4-dimethoxyphenyl)-N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947426
N-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53078127
N-[(2,4-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide
CID 118754590
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylquinazoline-2-carboxamide
CID 46349736
N-[(2,4-dimethoxyphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771237
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboxamide
CID 95663808
N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 15988959
2-(5-methoxy-1-methylindol-3-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 126564807
N-[(3-ethoxyphenyl)methyl]-1-methyl-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine-6-carboxamide
CID 53181333
N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide
CID 46590205
N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46347353

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide (CID 46349740) is N-[(2,4-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide is COc1ccc(CNC(=O)c2nc(N3CCC(C)CC3)c3ccccc3n2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide?
The InChIKey is DXWZVTIEVSTZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-16-10-12-28(13-11-16)23-19-6-4-5-7-20(19)26-22(27-23)24(29)25-15-17-8-9-18(30-2)14-21(17)31-3/h4-9,14,16H,10-13,15H2,1-3H3,(H,25,29).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide is sourced from PubChem (CID 46349740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).