N-[4-(7-methoxyquinolin-4-yl)oxycyclohexyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide

C30H34N4O4 — CID 45275605

IUPACN-[4-(7-methoxyquinolin-4-yl)oxycyclohexyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide
SMILESCCCn1c(C)c(C(=O)NC2CCC(Oc3ccnc4cc(OC)ccc34)CC2)c(=O)n1-c1ccccc1
InChIInChI=1S/C30H34N4O4/c1-4-18-33-20(2)28(30(36)34(33)22-8-6-5-7-9-22)29(35)32-21-10-12-23(13-11-21)38-27-16-17-31-26-19-24(37-3)14-15-25(26)27/h5-9,14-17,19,21,23H,4,10-13,18H2,1-3H3,(H,32,35)
InChIKeyAZIBPFHNLVDQOV-UHFFFAOYSA-N
MW514.63 g/mol
LogP5.03
Rot. Bonds8

About N-[4-(7-methoxyquinolin-4-yl)oxycyclohexyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide

N-[4-(7-methoxyquinolin-4-yl)oxycyclohexyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide (PubChem CID 45275605) has the molecular formula C30H34N4O4 and a molecular weight of 514.63 g/mol. Its IUPAC name is N-[4-(7-methoxyquinolin-4-yl)oxycyclohexyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(7-methoxyquinolin-4-yl)oxycyclohexyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide
PubChem CID45275605
Molecular FormulaC30H34N4O4
Molecular Weight514.63 g/mol
Exact Mass514.26
IUPAC NameN-[4-(7-methoxyquinolin-4-yl)oxycyclohexyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide
SMILESCCCn1c(C)c(C(=O)NC2CCC(Oc3ccnc4cc(OC)ccc34)CC2)c(=O)n1-c1ccccc1
InChIInChI=1S/C30H34N4O4/c1-4-18-33-20(2)28(30(36)34(33)22-8-6-5-7-9-22)29(35)32-21-10-12-23(13-11-21)38-27-16-17-31-26-19-24(37-3)14-15-25(26)27/h5-9,14-17,19,21,23H,4,10-13,18H2,1-3H3,(H,32,35)
InChIKeyAZIBPFHNLVDQOV-UHFFFAOYSA-N
XLogP5.03
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.63
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(7-methoxyquinolin-4-yl)oxycyclohexyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(7-methoxyquinolin-4-yl)oxycyclohexyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide (CID 45275605) is N-[4-(7-methoxyquinolin-4-yl)oxycyclohexyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(7-methoxyquinolin-4-yl)oxycyclohexyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(7-methoxyquinolin-4-yl)oxycyclohexyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide is CCCn1c(C)c(C(=O)NC2CCC(Oc3ccnc4cc(OC)ccc34)CC2)c(=O)n1-c1ccccc1.
What is the InChIKey of N-[4-(7-methoxyquinolin-4-yl)oxycyclohexyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide?
The InChIKey is AZIBPFHNLVDQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O4/c1-4-18-33-20(2)28(30(36)34(33)22-8-6-5-7-9-22)29(35)32-21-10-12-23(13-11-21)38-27-16-17-31-26-19-24(37-3)14-15-25(26)27/h5-9,14-17,19,21,23H,4,10-13,18H2,1-3H3,(H,32,35).
What are the key properties of N-[4-(7-methoxyquinolin-4-yl)oxycyclohexyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide?
N-[4-(7-methoxyquinolin-4-yl)oxycyclohexyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide has a molecular weight of 514.63 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-methoxyquinolin-4-yl)oxycyclohexyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide is sourced from PubChem (CID 45275605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).