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

C19H20N4O2 — CID 167839548

IUPACN-(7-hydroxy-4-methylquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
SMILESCc1cc(NC(=O)c2n[nH]c3c2CCCCC3)nc2cc(O)ccc12
InChIInChI=1S/C19H20N4O2/c1-11-9-17(20-16-10-12(24)7-8-13(11)16)21-19(25)18-14-5-3-2-4-6-15(14)22-23-18/h7-10,24H,2-6H2,1H3,(H,22,23)(H,20,21,25)
InChIKeyASIUBJZWEBJRFM-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.49
Rot. Bonds2

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

N-(7-hydroxy-4-methylquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide (PubChem CID 167839548) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(7-hydroxy-4-methylquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(7-hydroxy-4-methylquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
PubChem CID167839548
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-(7-hydroxy-4-methylquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
SMILESCc1cc(NC(=O)c2n[nH]c3c2CCCCC3)nc2cc(O)ccc12
InChIInChI=1S/C19H20N4O2/c1-11-9-17(20-16-10-12(24)7-8-13(11)16)21-19(25)18-14-5-3-2-4-6-15(14)22-23-18/h7-10,24H,2-6H2,1H3,(H,22,23)(H,20,21,25)
InChIKeyASIUBJZWEBJRFM-UHFFFAOYSA-N
XLogP3.49
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-hydroxy-4-methylquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(7-hydroxy-4-methylquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide (CID 167839548) is N-(7-hydroxy-4-methylquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(7-hydroxy-4-methylquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(7-hydroxy-4-methylquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide is Cc1cc(NC(=O)c2n[nH]c3c2CCCCC3)nc2cc(O)ccc12.
What is the InChIKey of N-(7-hydroxy-4-methylquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide?
The InChIKey is ASIUBJZWEBJRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-11-9-17(20-16-10-12(24)7-8-13(11)16)21-19(25)18-14-5-3-2-4-6-15(14)22-23-18/h7-10,24H,2-6H2,1H3,(H,22,23)(H,20,21,25).
What are the key properties of N-(7-hydroxy-4-methylquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide?
N-(7-hydroxy-4-methylquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.49, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-hydroxy-4-methylquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 167839548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).