N-(2-amino-1-cyclopropylethyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide

C19H22BrN3O — CID 119616555

IUPACN-(2-amino-1-cyclopropylethyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide
SMILESCc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)NC(CN)C1CC1
InChIInChI=1S/C19H22BrN3O/c1-10-17(19(24)23-16(9-21)11-2-3-11)14-8-13(20)6-7-15(14)22-18(10)12-4-5-12/h6-8,11-12,16H,2-5,9,21H2,1H3,(H,23,24)
InChIKeyTVMKMYQAPHXCCS-UHFFFAOYSA-N
MW388.31 g/mol
LogP3.65
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide

N-(2-amino-1-cyclopropylethyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide (PubChem CID 119616555) has the molecular formula C19H22BrN3O and a molecular weight of 388.31 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide
PubChem CID119616555
Molecular FormulaC19H22BrN3O
Molecular Weight388.31 g/mol
Exact Mass387.09
IUPAC NameN-(2-amino-1-cyclopropylethyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide
SMILESCc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)NC(CN)C1CC1
InChIInChI=1S/C19H22BrN3O/c1-10-17(19(24)23-16(9-21)11-2-3-11)14-8-13(20)6-7-15(14)22-18(10)12-4-5-12/h6-8,11-12,16H,2-5,9,21H2,1H3,(H,23,24)
InChIKeyTVMKMYQAPHXCCS-UHFFFAOYSA-N
XLogP3.65
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide
CID 119629461
6-bromo-N-(cyanomethyl)-2-cyclopropyl-3-methylquinoline-4-carboxamide
CID 71860124
6-bromo-2-cyclopropyl-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]quinoline-4-carboxamide
CID 166232250
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)methanone
CID 124611882
6-bromo-2-cyclopropyl-3-methyl-N-(2-methyloxan-4-yl)quinoline-4-carboxamide
CID 166195468
N-(2-amino-1-cyclopropylethyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride
CID 119617086
(6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)-piperazin-1-ylmethanone
CID 119402936
(6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)-piperazin-1-ylmethanone;dihydrochloride
CID 119402935
N-(2-amino-1-cyclopropylethyl)-5-bromopyridine-2-carboxamide;dihydrochloride
CID 119614994
N-(2-amino-1-cyclopropylethyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 119616697
N-(2-amino-1-cyclopentylethyl)-4-bromo-2-hydroxybenzamide
CID 106737241
N-(2-amino-1-cyclopentylethyl)-4-bromo-2,6-difluorobenzamide
CID 106737293

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide (CID 119616555) is N-(2-amino-1-cyclopropylethyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide is Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)NC(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide?
The InChIKey is TVMKMYQAPHXCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O/c1-10-17(19(24)23-16(9-21)11-2-3-11)14-8-13(20)6-7-15(14)22-18(10)12-4-5-12/h6-8,11-12,16H,2-5,9,21H2,1H3,(H,23,24).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide?
N-(2-amino-1-cyclopropylethyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide has a molecular weight of 388.31 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide is sourced from PubChem (CID 119616555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).