N-methyl-N-(2-methylprop-2-enyl)-5-nitroquinolin-8-amine

C14H15N3O2 — CID 133439131

IUPACN-methyl-N-(2-methylprop-2-enyl)-5-nitroquinolin-8-amine
SMILESC=C(C)CN(C)c1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C14H15N3O2/c1-10(2)9-16(3)13-7-6-12(17(18)19)11-5-4-8-15-14(11)13/h4-8H,1,9H2,2-3H3
InChIKeySDZMBDBFBAAISM-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.16
Rot. Bonds4

About N-methyl-N-(2-methylprop-2-enyl)-5-nitroquinolin-8-amine

N-methyl-N-(2-methylprop-2-enyl)-5-nitroquinolin-8-amine (PubChem CID 133439131) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-methyl-N-(2-methylprop-2-enyl)-5-nitroquinolin-8-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylprop-2-enyl)-5-nitroquinolin-8-amine
PubChem CID133439131
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-methyl-N-(2-methylprop-2-enyl)-5-nitroquinolin-8-amine
SMILESC=C(C)CN(C)c1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C14H15N3O2/c1-10(2)9-16(3)13-7-6-12(17(18)19)11-5-4-8-15-14(11)13/h4-8H,1,9H2,2-3H3
InChIKeySDZMBDBFBAAISM-UHFFFAOYSA-N
XLogP3.16
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-[methyl-(5-nitroquinolin-8-yl)amino]acetic acid
CID 43450052
N,N-diethyl-5-nitroquinolin-8-amine
CID 2843950
N-(3-imidazol-1-ylpropyl)-N-methyl-5-nitroquinolin-8-amine
CID 133376544
1-(5-nitroquinolin-8-yl)propan-2-one
CID 63199171
2-[(5-nitroquinolin-8-yl)-prop-2-ynylamino]acetic acid
CID 79272324
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-5-nitroquinolin-8-amine
CID 55532599
(5-nitroquinolin-8-yl) 2-methylprop-2-enoate
CID 19748562
1-[4-[methyl(2-methylprop-2-enyl)amino]-3-nitrophenyl]ethanone
CID 115967648
2-[methyl-(5-nitroquinolin-8-yl)oxycarbonylamino]acetic acid
CID 146455566
(5-nitroquinolin-8-yl) N,N-diethylcarbamate
CID 175460748
5-nitroquinoline-8-carboxylic acid
CID 15405331
8-(2-bromopropyl)-5-nitroquinoline
CID 63202831

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylprop-2-enyl)-5-nitroquinolin-8-amine?
The IUPAC name of N-methyl-N-(2-methylprop-2-enyl)-5-nitroquinolin-8-amine (CID 133439131) is N-methyl-N-(2-methylprop-2-enyl)-5-nitroquinolin-8-amine.
What is the SMILES notation for N-methyl-N-(2-methylprop-2-enyl)-5-nitroquinolin-8-amine?
The canonical SMILES for N-methyl-N-(2-methylprop-2-enyl)-5-nitroquinolin-8-amine is C=C(C)CN(C)c1ccc([N+](=O)[O-])c2cccnc12.
What is the InChIKey of N-methyl-N-(2-methylprop-2-enyl)-5-nitroquinolin-8-amine?
The InChIKey is SDZMBDBFBAAISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10(2)9-16(3)13-7-6-12(17(18)19)11-5-4-8-15-14(11)13/h4-8H,1,9H2,2-3H3.
What are the key properties of N-methyl-N-(2-methylprop-2-enyl)-5-nitroquinolin-8-amine?
N-methyl-N-(2-methylprop-2-enyl)-5-nitroquinolin-8-amine has a molecular weight of 257.29 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylprop-2-enyl)-5-nitroquinolin-8-amine is sourced from PubChem (CID 133439131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).