N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]cyclopropanecarboxamide

C27H32FN3O4 — CID 26362598

IUPACN-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]cyclopropanecarboxamide
SMILESCOc1cc2nc(N(C)C)c(CN(CCc3ccc(F)cc3)C(=O)C3CC3)cc2c(OC)c1OC
InChIInChI=1S/C27H32FN3O4/c1-30(2)26-19(14-21-22(29-26)15-23(33-3)25(35-5)24(21)34-4)16-31(27(32)18-8-9-18)13-12-17-6-10-20(28)11-7-17/h6-7,10-11,14-15,18H,8-9,12-13,16H2,1-5H3
InChIKeyHRHYCVNGLBDMDW-UHFFFAOYSA-N
MW481.57 g/mol
LogP4.45
Rot. Bonds10

About N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]cyclopropanecarboxamide

N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]cyclopropanecarboxamide (PubChem CID 26362598) has the molecular formula C27H32FN3O4 and a molecular weight of 481.57 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]cyclopropanecarboxamide
PubChem CID26362598
Molecular FormulaC27H32FN3O4
Molecular Weight481.57 g/mol
Exact Mass481.24
IUPAC NameN-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]cyclopropanecarboxamide
SMILESCOc1cc2nc(N(C)C)c(CN(CCc3ccc(F)cc3)C(=O)C3CC3)cc2c(OC)c1OC
InChIInChI=1S/C27H32FN3O4/c1-30(2)26-19(14-21-22(29-26)15-23(33-3)25(35-5)24(21)34-4)16-31(27(32)18-8-9-18)13-12-17-6-10-20(28)11-7-17/h6-7,10-11,14-15,18H,8-9,12-13,16H2,1-5H3
InChIKeyHRHYCVNGLBDMDW-UHFFFAOYSA-N
XLogP4.45
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-benzyl-N-methylpiperidine-4-carboxamide
CID 44264110
N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide
CID 42396895
4-(3,5-Bis-cyclopropylmethoxy-phenyl)-7-cyclopropylmethoxy-2-ethyl-6-methoxy-quinazoline
CID 44329613
4-(3,5-Bis-cyclopropylmethoxy-phenyl)-6,7-dimethoxy-2-methyl-quinazoline
CID 44329894
6-Methoxy-2-(4,5,6-trimethoxyindol-1-yl)quinoline
CID 54768186
N-(2-fluorophenyl)-5,6,7-trimethoxyquinazolin-4-amine
CID 44158478
N-(4-fluorophenyl)-5,6,7-trimethoxyquinazolin-4-amine
CID 44160123
N-(3-fluorophenyl)-5,6,7-trimethoxyquinazolin-4-amine
CID 44160125
N-(3-fluorophenyl)-5,6,7-trimethoxyquinazolin-4-amine;hydrochloride
CID 73346038
2-Cyclopropyl-6,7-dimethoxy-4-[4-(2-methoxy-phenyl)-piperidin-1-yl]-quinazoline
CID 90237596
N-[2-(2-fluorophenyl)ethyl]-5,6,7-trimethoxyquinazolin-4-amine
CID 72204698
(E)-1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 13100421

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]cyclopropanecarboxamide (CID 26362598) is N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]cyclopropanecarboxamide is COc1cc2nc(N(C)C)c(CN(CCc3ccc(F)cc3)C(=O)C3CC3)cc2c(OC)c1OC.
What is the InChIKey of N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]cyclopropanecarboxamide?
The InChIKey is HRHYCVNGLBDMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O4/c1-30(2)26-19(14-21-22(29-26)15-23(33-3)25(35-5)24(21)34-4)16-31(27(32)18-8-9-18)13-12-17-6-10-20(28)11-7-17/h6-7,10-11,14-15,18H,8-9,12-13,16H2,1-5H3.
What are the key properties of N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]cyclopropanecarboxamide?
N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]cyclopropanecarboxamide has a molecular weight of 481.57 g/mol, XLogP of 4.45, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 26362598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).