5-nitro-2-[2-(quinolin-2-ylamino)ethylamino]benzamide

C18H17N5O3 — CID 133309757

IUPAC5-nitro-2-[2-(quinolin-2-ylamino)ethylamino]benzamide
SMILESNC(=O)c1cc([N+](=O)[O-])ccc1NCCNc1ccc2ccccc2n1
InChIInChI=1S/C18H17N5O3/c19-18(24)14-11-13(23(25)26)6-7-16(14)20-9-10-21-17-8-5-12-3-1-2-4-15(12)22-17/h1-8,11,20H,9-10H2,(H2,19,24)(H,21,22)
InChIKeySTMHKODHZIWCTI-UHFFFAOYSA-N
MW351.37 g/mol
LogP2.77
Rot. Bonds7

About 5-nitro-2-[2-(quinolin-2-ylamino)ethylamino]benzamide

5-nitro-2-[2-(quinolin-2-ylamino)ethylamino]benzamide (PubChem CID 133309757) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 5-nitro-2-[2-(quinolin-2-ylamino)ethylamino]benzamide.

Molecular Properties

Compound Name5-nitro-2-[2-(quinolin-2-ylamino)ethylamino]benzamide
PubChem CID133309757
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name5-nitro-2-[2-(quinolin-2-ylamino)ethylamino]benzamide
SMILESNC(=O)c1cc([N+](=O)[O-])ccc1NCCNc1ccc2ccccc2n1
InChIInChI=1S/C18H17N5O3/c19-18(24)14-11-13(23(25)26)6-7-16(14)20-9-10-21-17-8-5-12-3-1-2-4-15(12)22-17/h1-8,11,20H,9-10H2,(H2,19,24)(H,21,22)
InChIKeySTMHKODHZIWCTI-UHFFFAOYSA-N
XLogP2.77
TPSA123.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-(2-methoxyethylamino)-5-nitrobenzamide
CID 2960673
3-nitro-N-propan-2-yl-4-[2-(quinolin-2-ylamino)ethylamino]benzamide
CID 133309800
N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
CID 43450811
2-fluoro-N-[2-[(6-nitroquinolin-2-yl)amino]ethyl]benzamide
CID 133271463
methyl 5-nitro-2-[2-(pyridin-2-ylamino)ethylamino]benzoate
CID 36566494
2-[[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]amino]-5-nitrobenzamide
CID 133301141
6-nitro-N-propylquinolin-2-amine
CID 43450859
N-benzyl-3-[(6-nitroquinolin-2-yl)amino]propanamide
CID 133279470
2-(2-carbamoyl-4-nitroanilino)-2-methylpropanoic acid
CID 61264170
(1-methylimidazol-2-yl)-[3-nitro-4-[2-(quinolin-2-ylamino)ethylamino]phenyl]methanone
CID 133309783
2-[(2-methyl-2-methylsulfanylpropyl)amino]-5-nitrobenzamide
CID 133327327
5-[(6-nitroquinolin-2-yl)amino]pentan-1-ol
CID 107302495

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-[2-(quinolin-2-ylamino)ethylamino]benzamide?
The IUPAC name of 5-nitro-2-[2-(quinolin-2-ylamino)ethylamino]benzamide (CID 133309757) is 5-nitro-2-[2-(quinolin-2-ylamino)ethylamino]benzamide.
What is the SMILES notation for 5-nitro-2-[2-(quinolin-2-ylamino)ethylamino]benzamide?
The canonical SMILES for 5-nitro-2-[2-(quinolin-2-ylamino)ethylamino]benzamide is NC(=O)c1cc([N+](=O)[O-])ccc1NCCNc1ccc2ccccc2n1.
What is the InChIKey of 5-nitro-2-[2-(quinolin-2-ylamino)ethylamino]benzamide?
The InChIKey is STMHKODHZIWCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c19-18(24)14-11-13(23(25)26)6-7-16(14)20-9-10-21-17-8-5-12-3-1-2-4-15(12)22-17/h1-8,11,20H,9-10H2,(H2,19,24)(H,21,22).
What are the key properties of 5-nitro-2-[2-(quinolin-2-ylamino)ethylamino]benzamide?
5-nitro-2-[2-(quinolin-2-ylamino)ethylamino]benzamide has a molecular weight of 351.37 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-[2-(quinolin-2-ylamino)ethylamino]benzamide is sourced from PubChem (CID 133309757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).