4-chloro-N-methyl-3-nitroquinolin-2-amine

C10H8ClN3O2 — CID 70975596

IUPAC4-chloro-N-methyl-3-nitroquinolin-2-amine
SMILESCNc1nc2ccccc2c(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C10H8ClN3O2/c1-12-10-9(14(15)16)8(11)6-4-2-3-5-7(6)13-10/h2-5H,1H3,(H,12,13)
InChIKeyPBWLGQOFSGLXPZ-UHFFFAOYSA-N
MW237.65 g/mol
LogP2.84
Rot. Bonds2

About 4-chloro-N-methyl-3-nitroquinolin-2-amine

4-chloro-N-methyl-3-nitroquinolin-2-amine (PubChem CID 70975596) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is 4-chloro-N-methyl-3-nitroquinolin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-3-nitroquinolin-2-amine
PubChem CID70975596
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Name4-chloro-N-methyl-3-nitroquinolin-2-amine
SMILESCNc1nc2ccccc2c(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C10H8ClN3O2/c1-12-10-9(14(15)16)8(11)6-4-2-3-5-7(6)13-10/h2-5H,1H3,(H,12,13)
InChIKeyPBWLGQOFSGLXPZ-UHFFFAOYSA-N
XLogP2.84
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 52.84
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

4-chloro-2-methyl-3-nitroquinoline
CID 12673397
9-chloro-10-nitroanthracene
CID 44718980
1,3-dichloro-4-nitroisoquinoline
CID 163932905
2-chloro-N-methyl-5-nitroquinazolin-4-amine
CID 114693051
4-chloro-3-nitroquinoline;ethane
CID 90799881
N-benzyl-2-chloro-3-nitroquinolin-4-amine
CID 46830485
9-chloro-4-methoxy-1-nitroacridine
CID 18505069
4-nitro-2-N-prop-2-enylquinoline-2,3-diamine
CID 67636445
2-chloro-3-nitro-N-prop-2-enylquinolin-4-amine
CID 59007293
2-chloro-4-(3,3-dimethylbutyl)-3-nitroquinoline;ethane
CID 123208430
(2-chloro-3-nitroquinolin-4-yl)imino-triphenyl-lambda5-phosphane
CID 2775494
1-(2-amino-3-nitroquinolin-4-yl)ethanone
CID 19034766

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-3-nitroquinolin-2-amine?
The IUPAC name of 4-chloro-N-methyl-3-nitroquinolin-2-amine (CID 70975596) is 4-chloro-N-methyl-3-nitroquinolin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-3-nitroquinolin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-3-nitroquinolin-2-amine is CNc1nc2ccccc2c(Cl)c1[N+](=O)[O-].
What is the InChIKey of 4-chloro-N-methyl-3-nitroquinolin-2-amine?
The InChIKey is PBWLGQOFSGLXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c1-12-10-9(14(15)16)8(11)6-4-2-3-5-7(6)13-10/h2-5H,1H3,(H,12,13).
What are the key properties of 4-chloro-N-methyl-3-nitroquinolin-2-amine?
4-chloro-N-methyl-3-nitroquinolin-2-amine has a molecular weight of 237.65 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-3-nitroquinolin-2-amine is sourced from PubChem (CID 70975596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).