8-methyl-7-nitro-3-propan-2-yl-N-propylquinolin-2-amine

C16H21N3O2 — CID 63525776

IUPAC8-methyl-7-nitro-3-propan-2-yl-N-propylquinolin-2-amine
SMILESCCCNc1nc2c(C)c([N+](=O)[O-])ccc2cc1C(C)C
InChIInChI=1S/C16H21N3O2/c1-5-8-17-16-13(10(2)3)9-12-6-7-14(19(20)21)11(4)15(12)18-16/h6-7,9-10H,5,8H2,1-4H3,(H,17,18)
InChIKeyVNYTVLDTGANZTO-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.40
Rot. Bonds5

About 8-methyl-7-nitro-3-propan-2-yl-N-propylquinolin-2-amine

8-methyl-7-nitro-3-propan-2-yl-N-propylquinolin-2-amine (PubChem CID 63525776) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 8-methyl-7-nitro-3-propan-2-yl-N-propylquinolin-2-amine.

Molecular Properties

Compound Name8-methyl-7-nitro-3-propan-2-yl-N-propylquinolin-2-amine
PubChem CID63525776
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name8-methyl-7-nitro-3-propan-2-yl-N-propylquinolin-2-amine
SMILESCCCNc1nc2c(C)c([N+](=O)[O-])ccc2cc1C(C)C
InChIInChI=1S/C16H21N3O2/c1-5-8-17-16-13(10(2)3)9-12-6-7-14(19(20)21)11(4)15(12)18-16/h6-7,9-10H,5,8H2,1-4H3,(H,17,18)
InChIKeyVNYTVLDTGANZTO-UHFFFAOYSA-N
XLogP4.40
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.40
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-fluoro-3-propan-2-yl-N-propylquinolin-2-amine
CID 63524722
8-fluoro-5-nitro-N,3-dipropylquinolin-2-amine
CID 63524176
N-ethyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide
CID 80784224
5,6,8-trifluoro-3-propan-2-yl-N-propylquinolin-2-amine
CID 63524202
2-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80803530
2-N-(1-methoxypropan-2-yl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80786716
3-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]butan-1-ol
CID 83179472
2-N-(4-methoxybutan-2-yl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80844313
2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide
CID 80788349
7,8-dichloro-N-ethyl-3-propan-2-ylquinolin-2-amine
CID 63524899
7-fluoro-6-methyl-3-propan-2-yl-N-propylquinolin-2-amine
CID 112674490
2-N-ethyl-3-nitro-2-N-propan-2-yl-6-N-propylpyridine-2,6-diamine
CID 80775846

Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-nitro-3-propan-2-yl-N-propylquinolin-2-amine?
The IUPAC name of 8-methyl-7-nitro-3-propan-2-yl-N-propylquinolin-2-amine (CID 63525776) is 8-methyl-7-nitro-3-propan-2-yl-N-propylquinolin-2-amine.
What is the SMILES notation for 8-methyl-7-nitro-3-propan-2-yl-N-propylquinolin-2-amine?
The canonical SMILES for 8-methyl-7-nitro-3-propan-2-yl-N-propylquinolin-2-amine is CCCNc1nc2c(C)c([N+](=O)[O-])ccc2cc1C(C)C.
What is the InChIKey of 8-methyl-7-nitro-3-propan-2-yl-N-propylquinolin-2-amine?
The InChIKey is VNYTVLDTGANZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-8-17-16-13(10(2)3)9-12-6-7-14(19(20)21)11(4)15(12)18-16/h6-7,9-10H,5,8H2,1-4H3,(H,17,18).
What are the key properties of 8-methyl-7-nitro-3-propan-2-yl-N-propylquinolin-2-amine?
8-methyl-7-nitro-3-propan-2-yl-N-propylquinolin-2-amine has a molecular weight of 287.36 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-nitro-3-propan-2-yl-N-propylquinolin-2-amine is sourced from PubChem (CID 63525776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).