1-[2-[(8-nitroquinolin-5-yl)amino]ethylamino]propan-2-ol

C14H18N4O3 — CID 104594236

IUPAC1-[2-[(8-nitroquinolin-5-yl)amino]ethylamino]propan-2-ol
SMILESCC(O)CNCCNc1ccc([N+](=O)[O-])c2ncccc12
InChIInChI=1S/C14H18N4O3/c1-10(19)9-15-7-8-16-12-4-5-13(18(20)21)14-11(12)3-2-6-17-14/h2-6,10,15-16,19H,7-9H2,1H3
InChIKeyYJLNVFZMPUIRKJ-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.53
Rot. Bonds7

About 1-[2-[(8-nitroquinolin-5-yl)amino]ethylamino]propan-2-ol

1-[2-[(8-nitroquinolin-5-yl)amino]ethylamino]propan-2-ol (PubChem CID 104594236) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-[2-[(8-nitroquinolin-5-yl)amino]ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-[(8-nitroquinolin-5-yl)amino]ethylamino]propan-2-ol
PubChem CID104594236
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name1-[2-[(8-nitroquinolin-5-yl)amino]ethylamino]propan-2-ol
SMILESCC(O)CNCCNc1ccc([N+](=O)[O-])c2ncccc12
InChIInChI=1S/C14H18N4O3/c1-10(19)9-15-7-8-16-12-4-5-13(18(20)21)14-11(12)3-2-6-17-14/h2-6,10,15-16,19H,7-9H2,1H3
InChIKeyYJLNVFZMPUIRKJ-UHFFFAOYSA-N
XLogP1.53
TPSA100.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.53
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

3-[(8-nitroquinolin-5-yl)amino]propan-1-ol
CID 43386308
2-hydroxy-3-[(8-nitroquinolin-5-yl)amino]propanamide
CID 106170758
N-(2,2-dimethoxyethyl)-8-nitroquinolin-5-amine
CID 107390120
N-(2-methylsulfanylethyl)-8-nitroquinolin-5-amine
CID 60661616
N'-(8-nitroquinolin-5-yl)butane-1,4-diamine
CID 60895239
3-[(8-nitroquinolin-5-yl)amino]propanoic acid
CID 43449368
8-nitro-N-propan-2-ylquinolin-5-amine
CID 43449523
N-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine
CID 62664848
N-(3-methoxypropyl)-8-nitroquinolin-5-amine
CID 43386307
2-ethyl-1-N-(8-nitroquinolin-5-yl)butane-1,2-diamine
CID 115306174
N,N'-bis(5-nitroquinolin-8-yl)butane-1,4-diamine
CID 3119298
3-[(8-nitroquinolin-5-yl)amino]butanoic acid
CID 43449375

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(8-nitroquinolin-5-yl)amino]ethylamino]propan-2-ol?
The IUPAC name of 1-[2-[(8-nitroquinolin-5-yl)amino]ethylamino]propan-2-ol (CID 104594236) is 1-[2-[(8-nitroquinolin-5-yl)amino]ethylamino]propan-2-ol.
What is the SMILES notation for 1-[2-[(8-nitroquinolin-5-yl)amino]ethylamino]propan-2-ol?
The canonical SMILES for 1-[2-[(8-nitroquinolin-5-yl)amino]ethylamino]propan-2-ol is CC(O)CNCCNc1ccc([N+](=O)[O-])c2ncccc12.
What is the InChIKey of 1-[2-[(8-nitroquinolin-5-yl)amino]ethylamino]propan-2-ol?
The InChIKey is YJLNVFZMPUIRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-10(19)9-15-7-8-16-12-4-5-13(18(20)21)14-11(12)3-2-6-17-14/h2-6,10,15-16,19H,7-9H2,1H3.
What are the key properties of 1-[2-[(8-nitroquinolin-5-yl)amino]ethylamino]propan-2-ol?
1-[2-[(8-nitroquinolin-5-yl)amino]ethylamino]propan-2-ol has a molecular weight of 290.32 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(8-nitroquinolin-5-yl)amino]ethylamino]propan-2-ol is sourced from PubChem (CID 104594236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).