N-cyclopropyl-N-[[5,6,7-trimethoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]cyclohexanecarboxamide

C30H36N2O4 — CID 26332608

IUPACN-cyclopropyl-N-[[5,6,7-trimethoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]cyclohexanecarboxamide
SMILESCOc1cc2nc(-c3ccccc3C)c(CN(C(=O)C3CCCCC3)C3CC3)cc2c(OC)c1OC
InChIInChI=1S/C30H36N2O4/c1-19-10-8-9-13-23(19)27-21(18-32(22-14-15-22)30(33)20-11-6-5-7-12-20)16-24-25(31-27)17-26(34-2)29(36-4)28(24)35-3/h8-10,13,16-17,20,22H,5-7,11-12,14-15,18H2,1-4H3
InChIKeyFJNWBARJUIKIGU-UHFFFAOYSA-N
MW488.63 g/mol
LogP6.31
Rot. Bonds8

About N-cyclopropyl-N-[[5,6,7-trimethoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]cyclohexanecarboxamide

N-cyclopropyl-N-[[5,6,7-trimethoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]cyclohexanecarboxamide (PubChem CID 26332608) has the molecular formula C30H36N2O4 and a molecular weight of 488.63 g/mol. Its IUPAC name is N-cyclopropyl-N-[[5,6,7-trimethoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[5,6,7-trimethoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]cyclohexanecarboxamide
PubChem CID26332608
Molecular FormulaC30H36N2O4
Molecular Weight488.63 g/mol
Exact Mass488.27
IUPAC NameN-cyclopropyl-N-[[5,6,7-trimethoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]cyclohexanecarboxamide
SMILESCOc1cc2nc(-c3ccccc3C)c(CN(C(=O)C3CCCCC3)C3CC3)cc2c(OC)c1OC
InChIInChI=1S/C30H36N2O4/c1-19-10-8-9-13-23(19)27-21(18-32(22-14-15-22)30(33)20-11-6-5-7-12-20)16-24-25(31-27)17-26(34-2)29(36-4)28(24)35-3/h8-10,13,16-17,20,22H,5-7,11-12,14-15,18H2,1-4H3
InChIKeyFJNWBARJUIKIGU-UHFFFAOYSA-N
XLogP6.31
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[5,6,7-trimethoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-cyclopropyl-N-[[5,6,7-trimethoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]cyclohexanecarboxamide (CID 26332608) is N-cyclopropyl-N-[[5,6,7-trimethoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[5,6,7-trimethoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-cyclopropyl-N-[[5,6,7-trimethoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]cyclohexanecarboxamide is COc1cc2nc(-c3ccccc3C)c(CN(C(=O)C3CCCCC3)C3CC3)cc2c(OC)c1OC.
What is the InChIKey of N-cyclopropyl-N-[[5,6,7-trimethoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]cyclohexanecarboxamide?
The InChIKey is FJNWBARJUIKIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O4/c1-19-10-8-9-13-23(19)27-21(18-32(22-14-15-22)30(33)20-11-6-5-7-12-20)16-24-25(31-27)17-26(34-2)29(36-4)28(24)35-3/h8-10,13,16-17,20,22H,5-7,11-12,14-15,18H2,1-4H3.
What are the key properties of N-cyclopropyl-N-[[5,6,7-trimethoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]cyclohexanecarboxamide?
N-cyclopropyl-N-[[5,6,7-trimethoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]cyclohexanecarboxamide has a molecular weight of 488.63 g/mol, XLogP of 6.31, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[5,6,7-trimethoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 26332608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).