N-(2-aminoethyl)-N-cyclobutylquinoline-5-carboxamide

C16H19N3O — CID 102874207

IUPACN-(2-aminoethyl)-N-cyclobutylquinoline-5-carboxamide
SMILESNCCN(C(=O)c1cccc2ncccc12)C1CCC1
InChIInChI=1S/C16H19N3O/c17-9-11-19(12-4-1-5-12)16(20)14-6-2-8-15-13(14)7-3-10-18-15/h2-3,6-8,10,12H,1,4-5,9,11,17H2
InChIKeyNDNOXANKFSDUKV-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.19
Rot. Bonds4

About N-(2-aminoethyl)-N-cyclobutylquinoline-5-carboxamide

N-(2-aminoethyl)-N-cyclobutylquinoline-5-carboxamide (PubChem CID 102874207) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclobutylquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclobutylquinoline-5-carboxamide
PubChem CID102874207
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(2-aminoethyl)-N-cyclobutylquinoline-5-carboxamide
SMILESNCCN(C(=O)c1cccc2ncccc12)C1CCC1
InChIInChI=1S/C16H19N3O/c17-9-11-19(12-4-1-5-12)16(20)14-6-2-8-15-13(14)7-3-10-18-15/h2-3,6-8,10,12H,1,4-5,9,11,17H2
InChIKeyNDNOXANKFSDUKV-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-cyclobutylquinoline-5-carboxamide
CID 102873955
N-(2-aminoethyl)-N-cyclopropylquinoxaline-5-carboxamide
CID 104613988
N-(2-aminoethyl)-N-propan-2-ylquinoline-5-carboxamide
CID 55218818
N-(2-aminoethyl)-N-cyclobutyl-3-hydroxy-2-methylbenzamide
CID 102874159
N-(2-chloroethyl)-N-cyclopentylquinoxaline-5-carboxamide
CID 104615686
N-(2-aminoethyl)-N-cyclobutyl-1-hydroxynaphthalene-2-carboxamide
CID 102874121
2-(cyclopentylamino)-1-quinolin-5-ylethanone
CID 116559111
N-(2-amino-1-cyclopentylethyl)quinoline-5-carboxamide
CID 106737604
[3-(2-aminoethyl)pyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 114802065
N-(2-amino-2-cyclopropylethyl)quinoline-5-carboxamide;dihydrochloride
CID 75420130
N-[3-(2-aminoethoxy)propyl]quinoline-5-carboxamide
CID 106307791
N-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-5-carboxamide
CID 76951122

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclobutylquinoline-5-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclobutylquinoline-5-carboxamide (CID 102874207) is N-(2-aminoethyl)-N-cyclobutylquinoline-5-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclobutylquinoline-5-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclobutylquinoline-5-carboxamide is NCCN(C(=O)c1cccc2ncccc12)C1CCC1.
What is the InChIKey of N-(2-aminoethyl)-N-cyclobutylquinoline-5-carboxamide?
The InChIKey is NDNOXANKFSDUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-9-11-19(12-4-1-5-12)16(20)14-6-2-8-15-13(14)7-3-10-18-15/h2-3,6-8,10,12H,1,4-5,9,11,17H2.
What are the key properties of N-(2-aminoethyl)-N-cyclobutylquinoline-5-carboxamide?
N-(2-aminoethyl)-N-cyclobutylquinoline-5-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.19, 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-cyclobutylquinoline-5-carboxamide is sourced from PubChem (CID 102874207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).