N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-1-methylcyclohexane-1-carboxamide

C28H30ClN5O2 — CID 59483968

IUPACN-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-1-methylcyclohexane-1-carboxamide
SMILESCc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)cncc3CNC(=O)C3(C)CCCCC3)c2n1
InChIInChI=1S/C28H30ClN5O2/c1-19-13-24(34-12-11-30-18-34)21-7-6-8-25(26(21)33-19)36-17-22-20(14-31-16-23(22)29)15-32-27(35)28(2)9-4-3-5-10-28/h6-8,11-14,16,18H,3-5,9-10,15,17H2,1-2H3,(H,32,35)
InChIKeyMAHQMMBZZVRNND-UHFFFAOYSA-N
MW504.03 g/mol
LogP5.94
Rot. Bonds7

About N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-1-methylcyclohexane-1-carboxamide

N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-1-methylcyclohexane-1-carboxamide (PubChem CID 59483968) has the molecular formula C28H30ClN5O2 and a molecular weight of 504.03 g/mol. Its IUPAC name is N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-1-methylcyclohexane-1-carboxamide
PubChem CID59483968
Molecular FormulaC28H30ClN5O2
Molecular Weight504.03 g/mol
Exact Mass503.21
IUPAC NameN-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-1-methylcyclohexane-1-carboxamide
SMILESCc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)cncc3CNC(=O)C3(C)CCCCC3)c2n1
InChIInChI=1S/C28H30ClN5O2/c1-19-13-24(34-12-11-30-18-34)21-7-6-8-25(26(21)33-19)36-17-22-20(14-31-16-23(22)29)15-32-27(35)28(2)9-4-3-5-10-28/h6-8,11-14,16,18H,3-5,9-10,15,17H2,1-2H3,(H,32,35)
InChIKeyMAHQMMBZZVRNND-UHFFFAOYSA-N
XLogP5.94
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.03
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-1-methylcyclohexane-1-carboxamide (CID 59483968) is N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-1-methylcyclohexane-1-carboxamide is Cc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)cncc3CNC(=O)C3(C)CCCCC3)c2n1.
What is the InChIKey of N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-1-methylcyclohexane-1-carboxamide?
The InChIKey is MAHQMMBZZVRNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN5O2/c1-19-13-24(34-12-11-30-18-34)21-7-6-8-25(26(21)33-19)36-17-22-20(14-31-16-23(22)29)15-32-27(35)28(2)9-4-3-5-10-28/h6-8,11-14,16,18H,3-5,9-10,15,17H2,1-2H3,(H,32,35).
What are the key properties of N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-1-methylcyclohexane-1-carboxamide?
N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-1-methylcyclohexane-1-carboxamide has a molecular weight of 504.03 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 59483968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).