1-(4-nitro-2-pyridinyl)-3,4-dihydro-2H-quinoline

C14H13N3O2 — CID 82120294

IUPAC1-(4-nitro-2-pyridinyl)-3,4-dihydro-2H-quinoline
SMILESO=[N+]([O-])c1ccnc(N2CCCc3ccccc32)c1
InChIInChI=1S/C14H13N3O2/c18-17(19)12-7-8-15-14(10-12)16-9-3-5-11-4-1-2-6-13(11)16/h1-2,4,6-8,10H,3,5,9H2
InChIKeyDYMJOOAKEPGQJY-UHFFFAOYSA-N
MW255.28 g/mol
LogP3.07
Rot. Bonds2

About 1-(4-nitro-2-pyridinyl)-3,4-dihydro-2H-quinoline

1-(4-nitro-2-pyridinyl)-3,4-dihydro-2H-quinoline (PubChem CID 82120294) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-(4-nitro-2-pyridinyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(4-nitro-2-pyridinyl)-3,4-dihydro-2H-quinoline
PubChem CID82120294
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name1-(4-nitro-2-pyridinyl)-3,4-dihydro-2H-quinoline
SMILESO=[N+]([O-])c1ccnc(N2CCCc3ccccc32)c1
InChIInChI=1S/C14H13N3O2/c18-17(19)12-7-8-15-14(10-12)16-9-3-5-11-4-1-2-6-13(11)16/h1-2,4,6-8,10H,3,5,9H2
InChIKeyDYMJOOAKEPGQJY-UHFFFAOYSA-N
XLogP3.07
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carbaldehyde
CID 115042593
2-(4-nitro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline
CID 82120293
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitropyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 22531404
6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitropyrimidin-4-amine
CID 2960132
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-nitroaniline
CID 62184628
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide
CID 84574490
2-(2,3-dihydroindol-1-yl)-5-nitrobenzaldehyde
CID 43089612
1-(5-tert-butylsulfanyl-4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinoline
CID 102545834
1-[4-(chloromethyl)-2-pyridinyl]-2,3-dihydroindole
CID 61256792
N-[(4-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxamide
CID 109170889
2-(3,4-dihydro-2H-quinolin-1-yl)-N-quinolin-8-ylpyridine-4-carboxamide
CID 109176563
[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341707

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitro-2-pyridinyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(4-nitro-2-pyridinyl)-3,4-dihydro-2H-quinoline (CID 82120294) is 1-(4-nitro-2-pyridinyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(4-nitro-2-pyridinyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(4-nitro-2-pyridinyl)-3,4-dihydro-2H-quinoline is O=[N+]([O-])c1ccnc(N2CCCc3ccccc32)c1.
What is the InChIKey of 1-(4-nitro-2-pyridinyl)-3,4-dihydro-2H-quinoline?
The InChIKey is DYMJOOAKEPGQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c18-17(19)12-7-8-15-14(10-12)16-9-3-5-11-4-1-2-6-13(11)16/h1-2,4,6-8,10H,3,5,9H2.
What are the key properties of 1-(4-nitro-2-pyridinyl)-3,4-dihydro-2H-quinoline?
1-(4-nitro-2-pyridinyl)-3,4-dihydro-2H-quinoline has a molecular weight of 255.28 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitro-2-pyridinyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 82120294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).