N-(3-formamidopropyl)-1-methyl-3,4-dihydro-2H-quinoline-6-carboxamide

C15H21N3O2 — CID 110485916

IUPACN-(3-formamidopropyl)-1-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCN1CCCc2cc(C(=O)NCCCNC=O)ccc21
InChIInChI=1S/C15H21N3O2/c1-18-9-2-4-12-10-13(5-6-14(12)18)15(20)17-8-3-7-16-11-19/h5-6,10-11H,2-4,7-9H2,1H3,(H,16,19)(H,17,20)
InChIKeyVFIVFCQWRIVAQI-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.93
Rot. Bonds6

About N-(3-formamidopropyl)-1-methyl-3,4-dihydro-2H-quinoline-6-carboxamide

N-(3-formamidopropyl)-1-methyl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 110485916) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(3-formamidopropyl)-1-methyl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(3-formamidopropyl)-1-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID110485916
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(3-formamidopropyl)-1-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCN1CCCc2cc(C(=O)NCCCNC=O)ccc21
InChIInChI=1S/C15H21N3O2/c1-18-9-2-4-12-10-13(5-6-14(12)18)15(20)17-8-3-7-16-11-19/h5-6,10-11H,2-4,7-9H2,1H3,(H,16,19)(H,17,20)
InChIKeyVFIVFCQWRIVAQI-UHFFFAOYSA-N
XLogP0.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoate
CID 110485913
N-(5-hydroxypentyl)-1-methyl-2,3-dihydroindole-5-carboxamide
CID 110485516
N-butyl-1-methyl-2,3-dihydroindole-5-carboxamide
CID 110485487
N-[2-(2-hydroxyethoxy)ethyl]-1-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 110485923
ethyl 2-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]acetate
CID 110485909
N-[4-(4-ethylpiperazin-1-yl)butyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 78871163
1-methyl-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 58575703
N-[2-(2-hydroxyethoxy)ethyl]-1-methyl-2,3-dihydroindole-5-carboxamide
CID 110485493
1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide
CID 46538156
1-acetyl-N-[3-(methylamino)propyl]-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119259944
fluoro 1-methyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 142338422
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95166108

Frequently Asked Questions

What is the IUPAC name of N-(3-formamidopropyl)-1-methyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of N-(3-formamidopropyl)-1-methyl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 110485916) is N-(3-formamidopropyl)-1-methyl-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for N-(3-formamidopropyl)-1-methyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for N-(3-formamidopropyl)-1-methyl-3,4-dihydro-2H-quinoline-6-carboxamide is CN1CCCc2cc(C(=O)NCCCNC=O)ccc21.
What is the InChIKey of N-(3-formamidopropyl)-1-methyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is VFIVFCQWRIVAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18-9-2-4-12-10-13(5-6-14(12)18)15(20)17-8-3-7-16-11-19/h5-6,10-11H,2-4,7-9H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-(3-formamidopropyl)-1-methyl-3,4-dihydro-2H-quinoline-6-carboxamide?
N-(3-formamidopropyl)-1-methyl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formamidopropyl)-1-methyl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 110485916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).