N-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide

C16H22N4O3 — CID 46286909

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCN1CCN(CCNC(=O)c2ccc3c(c2)NC(=O)CO3)CC1
InChIInChI=1S/C16H22N4O3/c1-19-6-8-20(9-7-19)5-4-17-16(22)12-2-3-14-13(10-12)18-15(21)11-23-14/h2-3,10H,4-9,11H2,1H3,(H,17,22)(H,18,21)
InChIKeyWDNLICVAJKQUHM-UHFFFAOYSA-N
MW318.38 g/mol
LogP-0.01
Rot. Bonds4

About N-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide

N-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 46286909) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
PubChem CID46286909
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCN1CCN(CCNC(=O)c2ccc3c(c2)NC(=O)CO3)CC1
InChIInChI=1S/C16H22N4O3/c1-19-6-8-20(9-7-19)5-4-17-16(22)12-2-3-14-13(10-12)18-15(21)11-23-14/h2-3,10H,4-9,11H2,1H3,(H,17,22)(H,18,21)
InChIKeyWDNLICVAJKQUHM-UHFFFAOYSA-N
XLogP-0.01
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-oxo-N-(2-pyrrolidin-1-ylethyl)-4H-1,4-benzoxazine-6-carboxamide
CID 53362064
N-(2-methoxyethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 83274535
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 39982310
3-oxo-N-(2-thiophen-2-ylethyl)-4H-1,4-benzoxazine-6-carboxamide
CID 110763768
ethyl 2-[(3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]acetate
CID 60811784
N-(5-hydroxy-4-methylpentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 103861469
N-[2-(4-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763772
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 146123555
N-[3-(2-methylpropoxy)propyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 86907913
N-(2-amino-2-ethylbutyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 119639796
3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4H-1,4-benzoxazine-7-carboxamide
CID 30483275
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53362046

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide (CID 46286909) is N-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide is CN1CCN(CCNC(=O)c2ccc3c(c2)NC(=O)CO3)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is WDNLICVAJKQUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-19-6-8-20(9-7-19)5-4-17-16(22)12-2-3-14-13(10-12)18-15(21)11-23-14/h2-3,10H,4-9,11H2,1H3,(H,17,22)(H,18,21).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 318.38 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 46286909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).