N-[3-(2-aminoethoxy)propyl]quinoline-4-carboxamide

C15H19N3O2 — CID 106307902

IUPACN-[3-(2-aminoethoxy)propyl]quinoline-4-carboxamide
SMILESNCCOCCCNC(=O)c1ccnc2ccccc12
InChIInChI=1S/C15H19N3O2/c16-7-11-20-10-3-8-18-15(19)13-6-9-17-14-5-2-1-4-12(13)14/h1-2,4-6,9H,3,7-8,10-11,16H2,(H,18,19)
InChIKeyOPQKNECXKJKBOV-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.33
Rot. Bonds7

About N-[3-(2-aminoethoxy)propyl]quinoline-4-carboxamide

N-[3-(2-aminoethoxy)propyl]quinoline-4-carboxamide (PubChem CID 106307902) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)propyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)propyl]quinoline-4-carboxamide
PubChem CID106307902
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[3-(2-aminoethoxy)propyl]quinoline-4-carboxamide
SMILESNCCOCCCNC(=O)c1ccnc2ccccc12
InChIInChI=1S/C15H19N3O2/c16-7-11-20-10-3-8-18-15(19)13-6-9-17-14-5-2-1-4-12(13)14/h1-2,4-6,9H,3,7-8,10-11,16H2,(H,18,19)
InChIKeyOPQKNECXKJKBOV-UHFFFAOYSA-N
XLogP1.33
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-aminoethoxy)propyl]quinoline-5-carboxamide
CID 106307791
N-(3-iodopropyl)quinoline-4-carboxamide
CID 114504474
N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107318423
N-(3-methoxypropyl)quinoline-5-carboxamide
CID 51075711
N-[3-(2-aminoethoxy)propyl]-1-benzofuran-3-carboxamide
CID 106307933
N-(4-azidobutyl)quinoline-4-carboxamide
CID 106386810
N-[3-(2-aminoethoxy)propyl]-2,3-dihydroxybenzamide
CID 114171525
N-(3-chloro-4-methoxybutyl)quinoline-4-carboxamide
CID 106244397
N-(2-oxoethyl)quinoline-4-carboxamide
CID 138723013
N-[2-(benzenesulfonyl)ethyl]quinoline-4-carboxamide
CID 60515386
N-[[1-(aminomethyl)cyclopentyl]methyl]quinoline-4-carboxamide
CID 115365406
N-[(4-bromocyclohexyl)methyl]quinoline-4-carboxamide
CID 106134702

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)propyl]quinoline-4-carboxamide?
The IUPAC name of N-[3-(2-aminoethoxy)propyl]quinoline-4-carboxamide (CID 106307902) is N-[3-(2-aminoethoxy)propyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)propyl]quinoline-4-carboxamide?
The canonical SMILES for N-[3-(2-aminoethoxy)propyl]quinoline-4-carboxamide is NCCOCCCNC(=O)c1ccnc2ccccc12.
What is the InChIKey of N-[3-(2-aminoethoxy)propyl]quinoline-4-carboxamide?
The InChIKey is OPQKNECXKJKBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-7-11-20-10-3-8-18-15(19)13-6-9-17-14-5-2-1-4-12(13)14/h1-2,4-6,9H,3,7-8,10-11,16H2,(H,18,19).
What are the key properties of N-[3-(2-aminoethoxy)propyl]quinoline-4-carboxamide?
N-[3-(2-aminoethoxy)propyl]quinoline-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)propyl]quinoline-4-carboxamide is sourced from PubChem (CID 106307902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).