N-[[1-(aminomethyl)cyclopropyl]methyl]quinoline-8-carboxamide

C15H17N3O — CID 115456767

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]quinoline-8-carboxamide
SMILESNCC1(CNC(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C15H17N3O/c16-9-15(6-7-15)10-18-14(19)12-5-1-3-11-4-2-8-17-13(11)12/h1-5,8H,6-7,9-10,16H2,(H,18,19)
InChIKeyUHKSOLQMDBTERO-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.70
Rot. Bonds4

About N-[[1-(aminomethyl)cyclopropyl]methyl]quinoline-8-carboxamide

N-[[1-(aminomethyl)cyclopropyl]methyl]quinoline-8-carboxamide (PubChem CID 115456767) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]quinoline-8-carboxamide
PubChem CID115456767
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]quinoline-8-carboxamide
SMILESNCC1(CNC(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C15H17N3O/c16-9-15(6-7-15)10-18-14(19)12-5-1-3-11-4-2-8-17-13(11)12/h1-5,8H,6-7,9-10,16H2,(H,18,19)
InChIKeyUHKSOLQMDBTERO-UHFFFAOYSA-N
XLogP1.70
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide
CID 113313670
2-[1-(aminomethyl)cyclohexyl]-1-quinolin-8-ylethanone
CID 116614423
[1-(aminomethyl)cycloheptyl]-quinolin-8-ylmethanone
CID 116602174
N-[[1-(chloromethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide
CID 104615778
N-(2-hydroxy-2-methylpropyl)quinoline-8-carboxamide
CID 65109650
N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-8-carboxamide
CID 106165340
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide
CID 114751509
N-[1-(bromomethyl)cyclohexyl]quinoline-8-carboxamide
CID 114314027
N-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide
CID 115598832
N-(2-amino-2-ethylbutyl)quinoline-8-carboxamide;dihydrochloride
CID 119641919
N-[2-(cyclopropylamino)ethyl]quinoline-8-carboxamide
CID 55126983
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinoline-8-carboxamide
CID 114693848

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]quinoline-8-carboxamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]quinoline-8-carboxamide (CID 115456767) is N-[[1-(aminomethyl)cyclopropyl]methyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]quinoline-8-carboxamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]quinoline-8-carboxamide is NCC1(CNC(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]quinoline-8-carboxamide?
The InChIKey is UHKSOLQMDBTERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-9-15(6-7-15)10-18-14(19)12-5-1-3-11-4-2-8-17-13(11)12/h1-5,8H,6-7,9-10,16H2,(H,18,19).
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]quinoline-8-carboxamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]quinoline-8-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]quinoline-8-carboxamide is sourced from PubChem (CID 115456767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).