N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide

C20H19ClFN5O2 — CID 66918089

IUPACN-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCOc1nc2ccc(Cl)cc2nc1NC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H19ClFN5O2/c1-29-19-18(23-17-12-13(21)2-7-16(17)24-19)25-20(28)27-10-8-26(9-11-27)15-5-3-14(22)4-6-15/h2-7,12H,8-11H2,1H3,(H,23,25,28)
InChIKeyUNRTVNUHRANJJJ-UHFFFAOYSA-N
MW415.86 g/mol
LogP3.79
Rot. Bonds3

About N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide

N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 66918089) has the molecular formula C20H19ClFN5O2 and a molecular weight of 415.86 g/mol. Its IUPAC name is N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID66918089
Molecular FormulaC20H19ClFN5O2
Molecular Weight415.86 g/mol
Exact Mass415.12
IUPAC NameN-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCOc1nc2ccc(Cl)cc2nc1NC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H19ClFN5O2/c1-29-19-18(23-17-12-13(21)2-7-16(17)24-19)25-20(28)27-10-8-26(9-11-27)15-5-3-14(22)4-6-15/h2-7,12H,8-11H2,1H3,(H,23,25,28)
InChIKeyUNRTVNUHRANJJJ-UHFFFAOYSA-N
XLogP3.79
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.86
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 69243276
N-(6-chloro-3-methoxyquinoxalin-2-yl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 69243801
4-(4-acetylphenyl)-N-(7-fluoro-3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 11524654
4-(3-chlorophenyl)-N-(3-methoxy-7-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 66918074
N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 69244851
4-(3,5-dimethoxyphenyl)-N-(3,7-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 69243350
4-(3,5-dimethoxyphenyl)-N-(3-methoxy-6-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 69244400
N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3-fluoro-5-methoxyphenyl)piperazine-1-carboxamide
CID 138539475
N-(3-methoxy-6,7-dimethylquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 69244859
4-(3-methoxyphenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 69244515
N-(2,5-difluorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 3258791
4-(3-bromophenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 69241684

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide (CID 66918089) is N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide is COc1nc2ccc(Cl)cc2nc1NC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is UNRTVNUHRANJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN5O2/c1-29-19-18(23-17-12-13(21)2-7-16(17)24-19)25-20(28)27-10-8-26(9-11-27)15-5-3-14(22)4-6-15/h2-7,12H,8-11H2,1H3,(H,23,25,28).
What are the key properties of N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide?
N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 415.86 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 66918089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).