N-(5-chloroquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide

C18H17ClN4O — CID 167818575

IUPACN-(5-chloroquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc2c(Cl)cccc2n1)c1n[nH]c2c1CCCCC2
InChIInChI=1S/C18H17ClN4O/c19-13-6-4-8-14-11(13)9-10-16(20-14)21-18(24)17-12-5-2-1-3-7-15(12)22-23-17/h4,6,8-10H,1-3,5,7H2,(H,22,23)(H,20,21,24)
InChIKeyYPELNDNMDLHTLG-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.13
Rot. Bonds2

About N-(5-chloroquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide

N-(5-chloroquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide (PubChem CID 167818575) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is N-(5-chloroquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloroquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
PubChem CID167818575
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC NameN-(5-chloroquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc2c(Cl)cccc2n1)c1n[nH]c2c1CCCCC2
InChIInChI=1S/C18H17ClN4O/c19-13-6-4-8-14-11(13)9-10-16(20-14)21-18(24)17-12-5-2-1-3-7-15(12)22-23-17/h4,6,8-10H,1-3,5,7H2,(H,22,23)(H,20,21,24)
InChIKeyYPELNDNMDLHTLG-UHFFFAOYSA-N
XLogP4.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5-chloroquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide with MolForge

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Related Compounds

N-(7-hydroxy-4-methylquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 167839548
N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110420482
N-phenyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 53017362
N-[(2,6-dichlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 687582
N-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112820541
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 6869343
N-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride
CID 44667187
N-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 171492031
N-(2H-benzotriazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 71918378
N-(2-naphthalen-1-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112821632
N-(3-ethoxyphenyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 110089442
N-(2-bromophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388942

Frequently Asked Questions

What is the IUPAC name of N-(5-chloroquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(5-chloroquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide (CID 167818575) is N-(5-chloroquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-chloroquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(5-chloroquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide is O=C(Nc1ccc2c(Cl)cccc2n1)c1n[nH]c2c1CCCCC2.
What is the InChIKey of N-(5-chloroquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide?
The InChIKey is YPELNDNMDLHTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c19-13-6-4-8-14-11(13)9-10-16(20-14)21-18(24)17-12-5-2-1-3-7-15(12)22-23-17/h4,6,8-10H,1-3,5,7H2,(H,22,23)(H,20,21,24).
What are the key properties of N-(5-chloroquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide?
N-(5-chloroquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloroquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 167818575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).