N-(3-aminopropyl)-2-methyl-N-propan-2-ylquinoline-4-carboxamide

C17H23N3O — CID 43319257

IUPACN-(3-aminopropyl)-2-methyl-N-propan-2-ylquinoline-4-carboxamide
SMILESCc1cc(C(=O)N(CCCN)C(C)C)c2ccccc2n1
InChIInChI=1S/C17H23N3O/c1-12(2)20(10-6-9-18)17(21)15-11-13(3)19-16-8-5-4-7-14(15)16/h4-5,7-8,11-12H,6,9-10,18H2,1-3H3
InChIKeyJRWIJANWOWTGTM-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.74
Rot. Bonds5

About N-(3-aminopropyl)-2-methyl-N-propan-2-ylquinoline-4-carboxamide

N-(3-aminopropyl)-2-methyl-N-propan-2-ylquinoline-4-carboxamide (PubChem CID 43319257) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-methyl-N-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-methyl-N-propan-2-ylquinoline-4-carboxamide
PubChem CID43319257
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(3-aminopropyl)-2-methyl-N-propan-2-ylquinoline-4-carboxamide
SMILESCc1cc(C(=O)N(CCCN)C(C)C)c2ccccc2n1
InChIInChI=1S/C17H23N3O/c1-12(2)20(10-6-9-18)17(21)15-11-13(3)19-16-8-5-4-7-14(15)16/h4-5,7-8,11-12H,6,9-10,18H2,1-3H3
InChIKeyJRWIJANWOWTGTM-UHFFFAOYSA-N
XLogP2.74
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-2-methyl-N-propan-2-ylbenzamide
CID 43136684
N,2-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 134005837
N-(3-aminopropyl)-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide
CID 104668867
2-amino-N-ethyl-N-propan-2-ylquinoline-4-carboxamide
CID 62154240
N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide
CID 62094391
3-methyl-1-(2-methylquinolin-4-yl)butan-1-one
CID 105077594
N-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 43136698
N-(2-aminoethyl)-N-propan-2-ylquinoline-5-carboxamide
CID 55218818
5-amino-2-methyl-N-(2-methylquinolin-4-yl)pentanamide
CID 104683446
N-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide
CID 43136631
N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide
CID 43136696
N-[(3R)-1-(5-chloro-2-pyridinyl)-4-methylpentan-3-yl]-N,2-dimethylquinoline-4-carboxamide
CID 152876447

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-methyl-N-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(3-aminopropyl)-2-methyl-N-propan-2-ylquinoline-4-carboxamide (CID 43319257) is N-(3-aminopropyl)-2-methyl-N-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-2-methyl-N-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-2-methyl-N-propan-2-ylquinoline-4-carboxamide is Cc1cc(C(=O)N(CCCN)C(C)C)c2ccccc2n1.
What is the InChIKey of N-(3-aminopropyl)-2-methyl-N-propan-2-ylquinoline-4-carboxamide?
The InChIKey is JRWIJANWOWTGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12(2)20(10-6-9-18)17(21)15-11-13(3)19-16-8-5-4-7-14(15)16/h4-5,7-8,11-12H,6,9-10,18H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-2-methyl-N-propan-2-ylquinoline-4-carboxamide?
N-(3-aminopropyl)-2-methyl-N-propan-2-ylquinoline-4-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-methyl-N-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 43319257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).