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

C14H16ClN3O2 — CID 63525434

IUPAC8-chloro-3-ethyl-6-nitro-N-propylquinolin-2-amine
SMILESCCCNc1nc2c(Cl)cc([N+](=O)[O-])cc2cc1CC
InChIInChI=1S/C14H16ClN3O2/c1-3-5-16-14-9(4-2)6-10-7-11(18(19)20)8-12(15)13(10)17-14/h6-8H,3-5H2,1-2H3,(H,16,17)
InChIKeyCMINSNLSWAHQEK-UHFFFAOYSA-N
MW293.75 g/mol
LogP4.18
Rot. Bonds5

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

8-chloro-3-ethyl-6-nitro-N-propylquinolin-2-amine (PubChem CID 63525434) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 8-chloro-3-ethyl-6-nitro-N-propylquinolin-2-amine.

Molecular Properties

Compound Name8-chloro-3-ethyl-6-nitro-N-propylquinolin-2-amine
PubChem CID63525434
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name8-chloro-3-ethyl-6-nitro-N-propylquinolin-2-amine
SMILESCCCNc1nc2c(Cl)cc([N+](=O)[O-])cc2cc1CC
InChIInChI=1S/C14H16ClN3O2/c1-3-5-16-14-9(4-2)6-10-7-11(18(19)20)8-12(15)13(10)17-14/h6-8H,3-5H2,1-2H3,(H,16,17)
InChIKeyCMINSNLSWAHQEK-UHFFFAOYSA-N
XLogP4.18
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 54.18
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-N,3-diethyl-6-nitroquinolin-2-amine
CID 63232474
8-chloro-3-methyl-6-nitro-N-propylquinolin-2-amine
CID 63232514
2,8-dichloro-3-(chloromethyl)-6-nitroquinoline
CID 63232149
3-ethyl-6,8-difluoro-N-propylquinolin-2-amine
CID 63525418
6-bromo-8-chloro-N,3-diethylquinolin-2-amine
CID 63525765
8-fluoro-5-nitro-N,3-dipropylquinolin-2-amine
CID 63524176
5-chloro-8-methyl-N,3-dipropylquinolin-2-amine
CID 55223167
3-tert-butyl-2-chloro-8-methyl-6-nitroquinoline
CID 63382509
3-ethyl-5,7,8-trifluoro-N-propylquinolin-2-amine
CID 63523674
3-chloro-5-nitro-N-[(E)-pent-3-enyl]pyridin-2-amine
CID 103679882
3-ethyl-5,8-dimethoxy-N-propylquinolin-2-amine
CID 63524526
5-nitro-2-(propylamino)pyridine-3-carbonitrile
CID 25197726

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-ethyl-6-nitro-N-propylquinolin-2-amine?
The IUPAC name of 8-chloro-3-ethyl-6-nitro-N-propylquinolin-2-amine (CID 63525434) is 8-chloro-3-ethyl-6-nitro-N-propylquinolin-2-amine.
What is the SMILES notation for 8-chloro-3-ethyl-6-nitro-N-propylquinolin-2-amine?
The canonical SMILES for 8-chloro-3-ethyl-6-nitro-N-propylquinolin-2-amine is CCCNc1nc2c(Cl)cc([N+](=O)[O-])cc2cc1CC.
What is the InChIKey of 8-chloro-3-ethyl-6-nitro-N-propylquinolin-2-amine?
The InChIKey is CMINSNLSWAHQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-3-5-16-14-9(4-2)6-10-7-11(18(19)20)8-12(15)13(10)17-14/h6-8H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 8-chloro-3-ethyl-6-nitro-N-propylquinolin-2-amine?
8-chloro-3-ethyl-6-nitro-N-propylquinolin-2-amine has a molecular weight of 293.75 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-ethyl-6-nitro-N-propylquinolin-2-amine is sourced from PubChem (CID 63525434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).