[1-[(7-bromo-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-yl]carbamic acid

C14H15BrN4O4 — CID 68818638

IUPAC[1-[(7-bromo-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-yl]carbamic acid
SMILESCC(C)(CNc1c([N+](=O)[O-])cnc2cc(Br)ccc12)NC(=O)O
InChIInChI=1S/C14H15BrN4O4/c1-14(2,18-13(20)21)7-17-12-9-4-3-8(15)5-10(9)16-6-11(12)19(22)23/h3-6,18H,7H2,1-2H3,(H,16,17)(H,20,21)
InChIKeyRDEXPRLMKBNCAE-UHFFFAOYSA-N
MW383.20 g/mol
LogP3.36
Rot. Bonds5

About [1-[(7-bromo-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-yl]carbamic acid

[1-[(7-bromo-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-yl]carbamic acid (PubChem CID 68818638) has the molecular formula C14H15BrN4O4 and a molecular weight of 383.20 g/mol. Its IUPAC name is [1-[(7-bromo-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[(7-bromo-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-yl]carbamic acid
PubChem CID68818638
Molecular FormulaC14H15BrN4O4
Molecular Weight383.20 g/mol
Exact Mass382.03
IUPAC Name[1-[(7-bromo-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-yl]carbamic acid
SMILESCC(C)(CNc1c([N+](=O)[O-])cnc2cc(Br)ccc12)NC(=O)O
InChIInChI=1S/C14H15BrN4O4/c1-14(2,18-13(20)21)7-17-12-9-4-3-8(15)5-10(9)16-6-11(12)19(22)23/h3-6,18H,7H2,1-2H3,(H,16,17)(H,20,21)
InChIKeyRDEXPRLMKBNCAE-UHFFFAOYSA-N
XLogP3.36
TPSA117.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.20
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [1-[(7-bromo-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-bromo-N-[(4-methylphenyl)methyl]-3-nitroquinolin-4-amine
CID 173202822
3-[(7-bromo-3-nitroquinolin-4-yl)amino]propan-1-ol
CID 66619878
2-hydroxy-3-[(7-methoxy-3-nitroquinolin-4-yl)amino]-2-methylpropanoic acid
CID 122060772
ethyl 3-[(7-bromo-3-nitroquinolin-4-yl)amino]benzoate
CID 67513823
2-[(6-bromo-3-nitroquinolin-4-yl)amino]propanoic acid
CID 43621517
N-(6-bromo-3-nitroquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664666
2-(6-bromo-3-nitroquinolin-4-yl)acetic acid
CID 104571308
N-(2-methoxy-2-methylpropyl)-3-nitroquinolin-4-amine
CID 104762572
tert-butyl N-[2-methyl-1-[(3-nitro-1,5-naphthyridin-4-yl)amino]propan-2-yl]carbamate
CID 68933218
[3-[[(3-nitroquinolin-4-yl)amino]methyl]phenyl]carbamic acid
CID 174160363
6-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-nitroquinolin-4-amine
CID 138958118
N-(6-bromo-3-nitroquinolin-4-yl)-3,5-dimethyl-1,2-oxazol-4-amine
CID 59620045

Frequently Asked Questions

What is the IUPAC name of [1-[(7-bromo-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-yl]carbamic acid?
The IUPAC name of [1-[(7-bromo-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-yl]carbamic acid (CID 68818638) is [1-[(7-bromo-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-yl]carbamic acid.
What is the SMILES notation for [1-[(7-bromo-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-yl]carbamic acid?
The canonical SMILES for [1-[(7-bromo-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-yl]carbamic acid is CC(C)(CNc1c([N+](=O)[O-])cnc2cc(Br)ccc12)NC(=O)O.
What is the InChIKey of [1-[(7-bromo-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-yl]carbamic acid?
The InChIKey is RDEXPRLMKBNCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O4/c1-14(2,18-13(20)21)7-17-12-9-4-3-8(15)5-10(9)16-6-11(12)19(22)23/h3-6,18H,7H2,1-2H3,(H,16,17)(H,20,21).
What are the key properties of [1-[(7-bromo-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-yl]carbamic acid?
[1-[(7-bromo-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-yl]carbamic acid has a molecular weight of 383.20 g/mol, XLogP of 3.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(7-bromo-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-yl]carbamic acid is sourced from PubChem (CID 68818638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).