N-[(2-methoxyphenyl)methyl]-4-methyl-N-(1-methylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxamide;hydrochloride

C24H29ClN4O3 — CID 171667548

IUPACN-[(2-methoxyphenyl)methyl]-4-methyl-N-(1-methylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxamide;hydrochloride
SMILESCOc1ccccc1CN(C(=O)c1nc2ccccc2n(C)c1=O)C1CCN(C)CC1.Cl
InChIInChI=1S/C24H28N4O3.ClH/c1-26-14-12-18(13-15-26)28(16-17-8-4-7-11-21(17)31-3)24(30)22-23(29)27(2)20-10-6-5-9-19(20)25-22;/h4-11,18H,12-16H2,1-3H3;1H
InChIKeyHJWJBUPNFYDBQL-UHFFFAOYSA-N
MW456.97 g/mol
LogP3.10
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-4-methyl-N-(1-methylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxamide;hydrochloride

N-[(2-methoxyphenyl)methyl]-4-methyl-N-(1-methylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxamide;hydrochloride (PubChem CID 171667548) has the molecular formula C24H29ClN4O3 and a molecular weight of 456.97 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-methyl-N-(1-methylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-methyl-N-(1-methylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxamide;hydrochloride
PubChem CID171667548
Molecular FormulaC24H29ClN4O3
Molecular Weight456.97 g/mol
Exact Mass456.19
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-methyl-N-(1-methylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxamide;hydrochloride
SMILESCOc1ccccc1CN(C(=O)c1nc2ccccc2n(C)c1=O)C1CCN(C)CC1.Cl
InChIInChI=1S/C24H28N4O3.ClH/c1-26-14-12-18(13-15-26)28(16-17-8-4-7-11-21(17)31-3)24(30)22-23(29)27(2)20-10-6-5-9-19(20)25-22;/h4-11,18H,12-16H2,1-3H3;1H
InChIKeyHJWJBUPNFYDBQL-UHFFFAOYSA-N
XLogP3.10
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.97
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 46986465
N-[(2-methoxyphenyl)methyl]-6-methyl-N-(1-methylpiperidin-4-yl)thieno[2,3-b]quinoline-2-carboxamide
CID 20966475
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-fluorophenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46976143
(3R)-N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 51492751
1-[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
CID 56701591
1-methyl-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]quinoxalin-2-one
CID 46364985
4-(aminomethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]benzamide;hydrochloride
CID 119284935
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 33078983
1-(2-methoxyphenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea
CID 46393180
1-(2-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79755499
3-[(E)-2-(2-methoxyphenyl)ethenyl]-1-methylquinoxalin-2-one
CID 7186381
1-[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
CID 31018719

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-methyl-N-(1-methylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxamide;hydrochloride?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-methyl-N-(1-methylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxamide;hydrochloride (CID 171667548) is N-[(2-methoxyphenyl)methyl]-4-methyl-N-(1-methylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-methyl-N-(1-methylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-methyl-N-(1-methylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxamide;hydrochloride is COc1ccccc1CN(C(=O)c1nc2ccccc2n(C)c1=O)C1CCN(C)CC1.Cl.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-methyl-N-(1-methylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxamide;hydrochloride?
The InChIKey is HJWJBUPNFYDBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3.ClH/c1-26-14-12-18(13-15-26)28(16-17-8-4-7-11-21(17)31-3)24(30)22-23(29)27(2)20-10-6-5-9-19(20)25-22;/h4-11,18H,12-16H2,1-3H3;1H.
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-methyl-N-(1-methylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxamide;hydrochloride?
N-[(2-methoxyphenyl)methyl]-4-methyl-N-(1-methylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxamide;hydrochloride has a molecular weight of 456.97 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-methyl-N-(1-methylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxamide;hydrochloride is sourced from PubChem (CID 171667548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).