2-nitro-N-pentylquinolin-4-amine

C14H17N3O2 — CID 67636563

IUPAC2-nitro-N-pentylquinolin-4-amine
SMILESCCCCCNc1cc([N+](=O)[O-])nc2ccccc12
InChIInChI=1S/C14H17N3O2/c1-2-3-6-9-15-13-10-14(17(18)19)16-12-8-5-4-7-11(12)13/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,15,16)
InChIKeyXBCGFFLDSVYRSC-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.75
Rot. Bonds6

About 2-nitro-N-pentylquinolin-4-amine

2-nitro-N-pentylquinolin-4-amine (PubChem CID 67636563) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-nitro-N-pentylquinolin-4-amine.

Molecular Properties

Compound Name2-nitro-N-pentylquinolin-4-amine
PubChem CID67636563
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-nitro-N-pentylquinolin-4-amine
SMILESCCCCCNc1cc([N+](=O)[O-])nc2ccccc12
InChIInChI=1S/C14H17N3O2/c1-2-3-6-9-15-13-10-14(17(18)19)16-12-8-5-4-7-11(12)13/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,15,16)
InChIKeyXBCGFFLDSVYRSC-UHFFFAOYSA-N
XLogP3.75
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-nitroquinoline
CID 150997000
bis(N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine);bis(N,N'-bis(2-methylquinolin-4-yl)dodecane-1,12-diamine);hydrate
CID 158378182
N-(3-butoxypropyl)-2-methylquinolin-4-amine
CID 112810282
N-(4-chlorobutyl)-2-methylquinolin-4-amine
CID 106845127
4-(hexylamino)-2-methylquinolin-6-ol
CID 22417914
3-(benzenesulfonyl)-2-nitro-N-pentylaniline
CID 68853978
N,N'-bis(2-phenylquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531954
2-amino-3-nitro-N-pentylquinoline-4-sulfonamide
CID 67635990
5-chloro-N-hexyl-2-nitroaniline
CID 43685977
2-(pentylamino)-3,1-benzoxazin-4-one
CID 72702661
2-nitro-4-[3-nitro-4-(pentylamino)phenyl]sulfonyl-N-pentylaniline
CID 635447
N-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide
CID 49431740

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-pentylquinolin-4-amine?
The IUPAC name of 2-nitro-N-pentylquinolin-4-amine (CID 67636563) is 2-nitro-N-pentylquinolin-4-amine.
What is the SMILES notation for 2-nitro-N-pentylquinolin-4-amine?
The canonical SMILES for 2-nitro-N-pentylquinolin-4-amine is CCCCCNc1cc([N+](=O)[O-])nc2ccccc12.
What is the InChIKey of 2-nitro-N-pentylquinolin-4-amine?
The InChIKey is XBCGFFLDSVYRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-3-6-9-15-13-10-14(17(18)19)16-12-8-5-4-7-11(12)13/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,15,16).
What are the key properties of 2-nitro-N-pentylquinolin-4-amine?
2-nitro-N-pentylquinolin-4-amine has a molecular weight of 259.31 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-pentylquinolin-4-amine is sourced from PubChem (CID 67636563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).