4-[3-aminopropyl(methyl)amino]quinoline-3-carboxamide

C14H18N4O — CID 115319371

IUPAC4-[3-aminopropyl(methyl)amino]quinoline-3-carboxamide
SMILESCN(CCCN)c1c(C(N)=O)cnc2ccccc12
InChIInChI=1S/C14H18N4O/c1-18(8-4-7-15)13-10-5-2-3-6-12(10)17-9-11(13)14(16)19/h2-3,5-6,9H,4,7-8,15H2,1H3,(H2,16,19)
InChIKeyYLYNXWAJCAXFAF-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.12
Rot. Bonds5

About 4-[3-aminopropyl(methyl)amino]quinoline-3-carboxamide

4-[3-aminopropyl(methyl)amino]quinoline-3-carboxamide (PubChem CID 115319371) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[3-aminopropyl(methyl)amino]quinoline-3-carboxamide.

Molecular Properties

Compound Name4-[3-aminopropyl(methyl)amino]quinoline-3-carboxamide
PubChem CID115319371
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-[3-aminopropyl(methyl)amino]quinoline-3-carboxamide
SMILESCN(CCCN)c1c(C(N)=O)cnc2ccccc12
InChIInChI=1S/C14H18N4O/c1-18(8-4-7-15)13-10-5-2-3-6-12(10)17-9-11(13)14(16)19/h2-3,5-6,9H,4,7-8,15H2,1H3,(H2,16,19)
InChIKeyYLYNXWAJCAXFAF-UHFFFAOYSA-N
XLogP1.12
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-carbamoylquinolin-4-yl)-methylamino]acetic acid
CID 43669305
4-[5-hydroxypentyl(methyl)amino]quinoline-3-carboxylic acid
CID 107200323
4-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxyquinoline-3-carboximidamide
CID 77017337
4-[3-(dimethylamino)propyl-methylamino]quinoline-3-carboximidamide
CID 63694201
4-[methyl(pentyl)amino]quinoline-3-carboximidamide
CID 43669819
2-[(3-carbamoylquinolin-4-yl)-methylamino]propanoic acid
CID 62637373
4-[ethyl(methyl)amino]quinoline-3-carboxylic acid
CID 61340798
methyl 2-[(3-carbamothioylquinolin-4-yl)-methylamino]acetate
CID 43669616
2-[(3-carbamoylquinolin-4-yl)-ethylamino]acetic acid
CID 61012802
3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]propan-1-ol
CID 114230085
4-(dimethylamino)quinoline-3-carbothioamide
CID 43669612
3-(aminomethyl)-N-methyl-N-pentylquinolin-4-amine
CID 43669373

Frequently Asked Questions

What is the IUPAC name of 4-[3-aminopropyl(methyl)amino]quinoline-3-carboxamide?
The IUPAC name of 4-[3-aminopropyl(methyl)amino]quinoline-3-carboxamide (CID 115319371) is 4-[3-aminopropyl(methyl)amino]quinoline-3-carboxamide.
What is the SMILES notation for 4-[3-aminopropyl(methyl)amino]quinoline-3-carboxamide?
The canonical SMILES for 4-[3-aminopropyl(methyl)amino]quinoline-3-carboxamide is CN(CCCN)c1c(C(N)=O)cnc2ccccc12.
What is the InChIKey of 4-[3-aminopropyl(methyl)amino]quinoline-3-carboxamide?
The InChIKey is YLYNXWAJCAXFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-18(8-4-7-15)13-10-5-2-3-6-12(10)17-9-11(13)14(16)19/h2-3,5-6,9H,4,7-8,15H2,1H3,(H2,16,19).
What are the key properties of 4-[3-aminopropyl(methyl)amino]quinoline-3-carboxamide?
4-[3-aminopropyl(methyl)amino]quinoline-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-aminopropyl(methyl)amino]quinoline-3-carboxamide is sourced from PubChem (CID 115319371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).