N-(2-aminoethyl)-N-propan-2-ylquinoline-5-carboxamide

C15H19N3O — CID 55218818

IUPACN-(2-aminoethyl)-N-propan-2-ylquinoline-5-carboxamide
SMILESCC(C)N(CCN)C(=O)c1cccc2ncccc12
InChIInChI=1S/C15H19N3O/c1-11(2)18(10-8-16)15(19)13-5-3-7-14-12(13)6-4-9-17-14/h3-7,9,11H,8,10,16H2,1-2H3
InChIKeySKKQKLXHIUVCNO-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.04
Rot. Bonds4

About N-(2-aminoethyl)-N-propan-2-ylquinoline-5-carboxamide

N-(2-aminoethyl)-N-propan-2-ylquinoline-5-carboxamide (PubChem CID 55218818) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-propan-2-ylquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-propan-2-ylquinoline-5-carboxamide
PubChem CID55218818
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(2-aminoethyl)-N-propan-2-ylquinoline-5-carboxamide
SMILESCC(C)N(CCN)C(=O)c1cccc2ncccc12
InChIInChI=1S/C15H19N3O/c1-11(2)18(10-8-16)15(19)13-5-3-7-14-12(13)6-4-9-17-14/h3-7,9,11H,8,10,16H2,1-2H3
InChIKeySKKQKLXHIUVCNO-UHFFFAOYSA-N
XLogP2.04
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoethyl)-N-propan-2-ylquinoline-5-carboxamide
CID 80666191
N-(2-aminoethyl)-N-cyclobutylquinoline-5-carboxamide
CID 102874207
N-(3-aminopropyl)-N-cyclobutylquinoline-5-carboxamide
CID 102873955
6-amino-2-methyl-1-quinolin-5-ylheptan-1-one
CID 116574294
N-(3-aminopropyl)-2-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 43319257
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylquinoline-5-carboxamide
CID 76951085
3-[ethyl(quinoline-5-carbonyl)amino]propanoic acid
CID 61008095
N-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-5-carboxamide
CID 76951122
2-amino-4-methylsulfonyl-1-quinolin-5-ylbutan-1-one
CID 116552040
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)quinoline-5-carboxamide
CID 107482532
N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyridine-4-carboxamide
CID 106752314
5-amino-1-quinolin-5-ylhexan-1-one
CID 116610193

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-propan-2-ylquinoline-5-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-propan-2-ylquinoline-5-carboxamide (CID 55218818) is N-(2-aminoethyl)-N-propan-2-ylquinoline-5-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-propan-2-ylquinoline-5-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-propan-2-ylquinoline-5-carboxamide is CC(C)N(CCN)C(=O)c1cccc2ncccc12.
What is the InChIKey of N-(2-aminoethyl)-N-propan-2-ylquinoline-5-carboxamide?
The InChIKey is SKKQKLXHIUVCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11(2)18(10-8-16)15(19)13-5-3-7-14-12(13)6-4-9-17-14/h3-7,9,11H,8,10,16H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-propan-2-ylquinoline-5-carboxamide?
N-(2-aminoethyl)-N-propan-2-ylquinoline-5-carboxamide has a molecular weight of 257.34 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-aminoethyl)-N-propan-2-ylquinoline-5-carboxamide is sourced from PubChem (CID 55218818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).