N-cycloheptyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboxamide

C21H26N4O — CID 109287476

IUPACN-cycloheptyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cnc(N2CCCc3ccccc32)cn1
InChIInChI=1S/C21H26N4O/c26-21(24-17-10-3-1-2-4-11-17)18-14-23-20(15-22-18)25-13-7-9-16-8-5-6-12-19(16)25/h5-6,8,12,14-15,17H,1-4,7,9-11,13H2,(H,24,26)
InChIKeyWINBWHQTPGUCPI-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.01
Rot. Bonds3

About N-cycloheptyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboxamide

N-cycloheptyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboxamide (PubChem CID 109287476) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-cycloheptyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboxamide
PubChem CID109287476
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-cycloheptyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cnc(N2CCCc3ccccc32)cn1
InChIInChI=1S/C21H26N4O/c26-21(24-17-10-3-1-2-4-11-17)18-14-23-20(15-22-18)25-13-7-9-16-8-5-6-12-19(16)25/h5-6,8,12,14-15,17H,1-4,7,9-11,13H2,(H,24,26)
InChIKeyWINBWHQTPGUCPI-UHFFFAOYSA-N
XLogP4.01
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-5-(2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109274719
N-cyclopentyl-5-(2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109273970
N-cyclohexyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carboxamide
CID 109342051
N-cyclopentyl-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109204075
N-cyclohexyl-6-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 84574195
[5-(3,4-dihydro-2H-quinolin-1-yl)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275086
N-cycloheptyl-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109287538
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109290679
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109283260
1-cyclopropyl-3-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]urea
CID 113016721
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 109290660
N-cyclopentyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine-2-carboxamide
CID 109273939

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-cycloheptyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboxamide (CID 109287476) is N-cycloheptyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-cycloheptyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboxamide is O=C(NC1CCCCCC1)c1cnc(N2CCCc3ccccc32)cn1.
What is the InChIKey of N-cycloheptyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboxamide?
The InChIKey is WINBWHQTPGUCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c26-21(24-17-10-3-1-2-4-11-17)18-14-23-20(15-22-18)25-13-7-9-16-8-5-6-12-19(16)25/h5-6,8,12,14-15,17H,1-4,7,9-11,13H2,(H,24,26).
What are the key properties of N-cycloheptyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboxamide?
N-cycloheptyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109287476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).