N-(2-amino-1-cyclopropylethyl)-N-methylquinoline-4-carboxamide

C16H19N3O — CID 116651974

IUPACN-(2-amino-1-cyclopropylethyl)-N-methylquinoline-4-carboxamide
SMILESCN(C(=O)c1ccnc2ccccc12)C(CN)C1CC1
InChIInChI=1S/C16H19N3O/c1-19(15(10-17)11-6-7-11)16(20)13-8-9-18-14-5-3-2-4-12(13)14/h2-5,8-9,11,15H,6-7,10,17H2,1H3
InChIKeyAJHQWQZBEWMUHX-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.04
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-N-methylquinoline-4-carboxamide

N-(2-amino-1-cyclopropylethyl)-N-methylquinoline-4-carboxamide (PubChem CID 116651974) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-N-methylquinoline-4-carboxamide
PubChem CID116651974
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(2-amino-1-cyclopropylethyl)-N-methylquinoline-4-carboxamide
SMILESCN(C(=O)c1ccnc2ccccc12)C(CN)C1CC1
InChIInChI=1S/C16H19N3O/c1-19(15(10-17)11-6-7-11)16(20)13-8-9-18-14-5-3-2-4-12(13)14/h2-5,8-9,11,15H,6-7,10,17H2,1H3
InChIKeyAJHQWQZBEWMUHX-UHFFFAOYSA-N
XLogP2.04
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 116652032
N-(1-bromopropan-2-yl)-N-methylquinoline-4-carboxamide
CID 104555996
N-(2-amino-1-cyclopropylethyl)-N-methyl-1H-indazole-3-carboxamide
CID 116652054
1-(2-amino-1-cyclopropylethyl)-3-benzyl-1-methylurea
CID 107654315
N-(2-amino-1-cyclopropylethyl)-2,6-dichloro-N-methylbenzamide
CID 116651988
N-(2-amino-1-cyclopropylethyl)-5-chloro-N-methylpyridine-2-carboxamide
CID 116651594
N-(2-amino-1-cyclopropylethyl)-5-fluoro-N,2-dimethylbenzamide
CID 116651780
2-hydroxy-1-quinolin-4-ylpropan-1-one
CID 175106314
N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide
CID 116651907
N-(2-amino-1-cyclopropylethyl)-5-chloro-2-iodo-N-methylbenzamide
CID 114030464
N-(2-amino-1-cyclopropylethyl)-N-methylthiadiazole-4-carboxamide
CID 116652070
N-(2-amino-1-cyclopropylethyl)-2-chloro-N-methyl-5-methylsulfanylbenzamide
CID 116651955

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-N-methylquinoline-4-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-N-methylquinoline-4-carboxamide (CID 116651974) is N-(2-amino-1-cyclopropylethyl)-N-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-N-methylquinoline-4-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-N-methylquinoline-4-carboxamide is CN(C(=O)c1ccnc2ccccc12)C(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-N-methylquinoline-4-carboxamide?
The InChIKey is AJHQWQZBEWMUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19(15(10-17)11-6-7-11)16(20)13-8-9-18-14-5-3-2-4-12(13)14/h2-5,8-9,11,15H,6-7,10,17H2,1H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-N-methylquinoline-4-carboxamide?
N-(2-amino-1-cyclopropylethyl)-N-methylquinoline-4-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 116651974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).