N-(1-methylcyclopropyl)-6-nitroquinolin-2-amine

C13H13N3O2 — CID 113485576

IUPACN-(1-methylcyclopropyl)-6-nitroquinolin-2-amine
SMILESCC1(Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC1
InChIInChI=1S/C13H13N3O2/c1-13(6-7-13)15-12-5-2-9-8-10(16(17)18)3-4-11(9)14-12/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyPRABOLOLWFFBGG-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.11
Rot. Bonds3

About N-(1-methylcyclopropyl)-6-nitroquinolin-2-amine

N-(1-methylcyclopropyl)-6-nitroquinolin-2-amine (PubChem CID 113485576) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(1-methylcyclopropyl)-6-nitroquinolin-2-amine.

Molecular Properties

Compound NameN-(1-methylcyclopropyl)-6-nitroquinolin-2-amine
PubChem CID113485576
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-(1-methylcyclopropyl)-6-nitroquinolin-2-amine
SMILESCC1(Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC1
InChIInChI=1S/C13H13N3O2/c1-13(6-7-13)15-12-5-2-9-8-10(16(17)18)3-4-11(9)14-12/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyPRABOLOLWFFBGG-UHFFFAOYSA-N
XLogP3.11
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.11
H-Bond Donors ≤ 51
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

6-nitro-N-propylquinolin-2-amine
CID 43450859
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-nitroquinolin-2-amine
CID 133459148
6-nitro-N-prop-2-ynylquinolin-2-amine
CID 55040690
1-[[(6-nitroquinolin-2-yl)amino]methyl]cyclobutan-1-ol
CID 115669126
N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
CID 43450811
N-(3-methylbutyl)-6-nitroquinolin-2-amine
CID 43450897
N-(3-methylpentan-2-yl)-6-nitroquinolin-2-amine
CID 61463580
6-nitro-N-pentan-2-ylquinolin-2-amine
CID 43450883
N-(3-ethylpentan-2-yl)-6-nitroquinolin-2-amine
CID 63839044
N,2-dimethyl-N'-(6-nitroquinolin-2-yl)propane-1,3-diamine
CID 115303024
N-[(2-methylcyclopentyl)methyl]-6-nitroquinolin-2-amine
CID 107419321
N-[(4S)-4-methoxypyrrolidin-3-yl]-6-nitroquinolin-2-amine
CID 43598911

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopropyl)-6-nitroquinolin-2-amine?
The IUPAC name of N-(1-methylcyclopropyl)-6-nitroquinolin-2-amine (CID 113485576) is N-(1-methylcyclopropyl)-6-nitroquinolin-2-amine.
What is the SMILES notation for N-(1-methylcyclopropyl)-6-nitroquinolin-2-amine?
The canonical SMILES for N-(1-methylcyclopropyl)-6-nitroquinolin-2-amine is CC1(Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC1.
What is the InChIKey of N-(1-methylcyclopropyl)-6-nitroquinolin-2-amine?
The InChIKey is PRABOLOLWFFBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-13(6-7-13)15-12-5-2-9-8-10(16(17)18)3-4-11(9)14-12/h2-5,8H,6-7H2,1H3,(H,14,15).
What are the key properties of N-(1-methylcyclopropyl)-6-nitroquinolin-2-amine?
N-(1-methylcyclopropyl)-6-nitroquinolin-2-amine has a molecular weight of 243.27 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclopropyl)-6-nitroquinolin-2-amine is sourced from PubChem (CID 113485576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).