8-chloro-3-methyl-6-nitro-N-propylquinolin-2-amine

C13H14ClN3O2 — CID 63232514

IUPAC8-chloro-3-methyl-6-nitro-N-propylquinolin-2-amine
SMILESCCCNc1nc2c(Cl)cc([N+](=O)[O-])cc2cc1C
InChIInChI=1S/C13H14ClN3O2/c1-3-4-15-13-8(2)5-9-6-10(17(18)19)7-11(14)12(9)16-13/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyJDNPGXBIDKIWCR-UHFFFAOYSA-N
MW279.73 g/mol
LogP3.93
Rot. Bonds4

About 8-chloro-3-methyl-6-nitro-N-propylquinolin-2-amine

8-chloro-3-methyl-6-nitro-N-propylquinolin-2-amine (PubChem CID 63232514) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 8-chloro-3-methyl-6-nitro-N-propylquinolin-2-amine.

Molecular Properties

Compound Name8-chloro-3-methyl-6-nitro-N-propylquinolin-2-amine
PubChem CID63232514
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name8-chloro-3-methyl-6-nitro-N-propylquinolin-2-amine
SMILESCCCNc1nc2c(Cl)cc([N+](=O)[O-])cc2cc1C
InChIInChI=1S/C13H14ClN3O2/c1-3-4-15-13-8(2)5-9-6-10(17(18)19)7-11(14)12(9)16-13/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyJDNPGXBIDKIWCR-UHFFFAOYSA-N
XLogP3.93
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 53.93
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

8-chloro-3-ethyl-6-nitro-N-propylquinolin-2-amine
CID 63525434
8-chloro-N,3-diethyl-6-nitroquinolin-2-amine
CID 63232474
5,8-dichloro-3,6-dimethyl-N-propylquinolin-2-amine
CID 104728365
6-fluoro-3,8-dimethyl-N-propylquinolin-2-amine
CID 63232719
2,8-dichloro-3-(chloromethyl)-6-nitroquinoline
CID 63232149
3-tert-butyl-2-chloro-8-methyl-6-nitroquinoline
CID 63382509
5-bromo-8-chloro-3-methyl-N-propylquinolin-2-amine
CID 63524554
8-methyl-7-nitro-3-propan-2-yl-N-propylquinolin-2-amine
CID 63525776
3-chloro-5-nitro-N-[(E)-pent-3-enyl]pyridin-2-amine
CID 103679882
5-nitro-2-(propylamino)pyridine-3-carbonitrile
CID 25197726
6-nitro-N-propylquinolin-2-amine
CID 43450859
6-N-(3-methylpentan-3-yl)-4-nitro-2-N-propylpyridine-2,6-diamine
CID 106332099

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-methyl-6-nitro-N-propylquinolin-2-amine?
The IUPAC name of 8-chloro-3-methyl-6-nitro-N-propylquinolin-2-amine (CID 63232514) is 8-chloro-3-methyl-6-nitro-N-propylquinolin-2-amine.
What is the SMILES notation for 8-chloro-3-methyl-6-nitro-N-propylquinolin-2-amine?
The canonical SMILES for 8-chloro-3-methyl-6-nitro-N-propylquinolin-2-amine is CCCNc1nc2c(Cl)cc([N+](=O)[O-])cc2cc1C.
What is the InChIKey of 8-chloro-3-methyl-6-nitro-N-propylquinolin-2-amine?
The InChIKey is JDNPGXBIDKIWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-3-4-15-13-8(2)5-9-6-10(17(18)19)7-11(14)12(9)16-13/h5-7H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 8-chloro-3-methyl-6-nitro-N-propylquinolin-2-amine?
8-chloro-3-methyl-6-nitro-N-propylquinolin-2-amine has a molecular weight of 279.73 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-methyl-6-nitro-N-propylquinolin-2-amine is sourced from PubChem (CID 63232514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).