N-(cyclohexylmethyl)-8-nitroquinolin-5-amine

C16H19N3O2 — CID 43386314

IUPACN-(cyclohexylmethyl)-8-nitroquinolin-5-amine
SMILESO=[N+]([O-])c1ccc(NCC2CCCCC2)c2cccnc12
InChIInChI=1S/C16H19N3O2/c20-19(21)15-9-8-14(13-7-4-10-17-16(13)15)18-11-12-5-2-1-3-6-12/h4,7-10,12,18H,1-3,5-6,11H2
InChIKeyGCSUSLQRGKVQGE-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.14
Rot. Bonds4

About N-(cyclohexylmethyl)-8-nitroquinolin-5-amine

N-(cyclohexylmethyl)-8-nitroquinolin-5-amine (PubChem CID 43386314) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-8-nitroquinolin-5-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-8-nitroquinolin-5-amine
PubChem CID43386314
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(cyclohexylmethyl)-8-nitroquinolin-5-amine
SMILESO=[N+]([O-])c1ccc(NCC2CCCCC2)c2cccnc12
InChIInChI=1S/C16H19N3O2/c20-19(21)15-9-8-14(13-7-4-10-17-16(13)15)18-11-12-5-2-1-3-6-12/h4,7-10,12,18H,1-3,5-6,11H2
InChIKeyGCSUSLQRGKVQGE-UHFFFAOYSA-N
XLogP4.14
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.14
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

N-cycloheptyl-8-nitroquinolin-5-amine
CID 43386323
5-nitro-N-(oxan-4-ylmethyl)quinolin-8-amine
CID 62350492
N-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine
CID 62664848
5-N-(cyclohexylmethyl)quinoline-5,8-diamine
CID 43449567
N-(2-cyclobutylethyl)-5-nitroquinolin-8-amine
CID 115689907
8-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-5-amine
CID 104973546
2-[(8-nitroquinolin-5-yl)amino]cyclohexan-1-ol
CID 62359986
2-cyclopropyl-2-N-(8-nitroquinolin-5-yl)propane-1,2-diamine
CID 115308115
N-(3-cyclohexyloxypropyl)-5-nitroquinolin-8-amine
CID 31539522
N-(cyclohexylmethyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
CID 43395044
3-[(8-nitroquinolin-5-yl)amino]propan-1-ol
CID 43386308
N-(3-methoxypropyl)-8-nitroquinolin-5-amine
CID 43386307

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-8-nitroquinolin-5-amine?
The IUPAC name of N-(cyclohexylmethyl)-8-nitroquinolin-5-amine (CID 43386314) is N-(cyclohexylmethyl)-8-nitroquinolin-5-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-8-nitroquinolin-5-amine?
The canonical SMILES for N-(cyclohexylmethyl)-8-nitroquinolin-5-amine is O=[N+]([O-])c1ccc(NCC2CCCCC2)c2cccnc12.
What is the InChIKey of N-(cyclohexylmethyl)-8-nitroquinolin-5-amine?
The InChIKey is GCSUSLQRGKVQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-19(21)15-9-8-14(13-7-4-10-17-16(13)15)18-11-12-5-2-1-3-6-12/h4,7-10,12,18H,1-3,5-6,11H2.
What are the key properties of N-(cyclohexylmethyl)-8-nitroquinolin-5-amine?
N-(cyclohexylmethyl)-8-nitroquinolin-5-amine has a molecular weight of 285.35 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-8-nitroquinolin-5-amine is sourced from PubChem (CID 43386314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).