7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-(2-methoxyethyl)-3-nitroquinolin-4-amine;ethane

C20H26N4O5 — CID 145190462

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-(2-methoxyethyl)-3-nitroquinolin-4-amine;ethane
SMILESCC.COCCNc1c([N+](=O)[O-])cnc2cc(-c3c(C)noc3C)c(OC)cc12
InChIInChI=1S/C18H20N4O5.C2H6/c1-10-17(11(2)27-21-10)13-7-14-12(8-16(13)26-4)18(19-5-6-25-3)15(9-20-14)22(23)24;1-2/h7-9H,5-6H2,1-4H3,(H,19,20);1-2H3
InChIKeyKOTXNVMRRXQYRZ-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.51
Rot. Bonds7

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-(2-methoxyethyl)-3-nitroquinolin-4-amine;ethane

7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-(2-methoxyethyl)-3-nitroquinolin-4-amine;ethane (PubChem CID 145190462) has the molecular formula C20H26N4O5 and a molecular weight of 402.45 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-(2-methoxyethyl)-3-nitroquinolin-4-amine;ethane.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-(2-methoxyethyl)-3-nitroquinolin-4-amine;ethane
PubChem CID145190462
Molecular FormulaC20H26N4O5
Molecular Weight402.45 g/mol
Exact Mass402.19
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-(2-methoxyethyl)-3-nitroquinolin-4-amine;ethane
SMILESCC.COCCNc1c([N+](=O)[O-])cnc2cc(-c3c(C)noc3C)c(OC)cc12
InChIInChI=1S/C18H20N4O5.C2H6/c1-10-17(11(2)27-21-10)13-7-14-12(8-16(13)26-4)18(19-5-6-25-3)15(9-20-14)22(23)24;1-2/h7-9H,5-6H2,1-4H3,(H,19,20);1-2H3
InChIKeyKOTXNVMRRXQYRZ-UHFFFAOYSA-N
XLogP4.51
TPSA112.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-(2-methoxyethyl)-3-nitroquinolin-4-amine;ethane with MolForge

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Launch Full Analysis

Related Compounds

4-N-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine
CID 144820395
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-N-[2-(6-methyl-2-pyridinyl)ethyl]quinoline-3,4-diamine
CID 122705107
4-N-[(2S)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine
CID 122446103
4-(benzylamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3-carboxamide
CID 70691698
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-(2-methoxyethyl)-1-propan-2-ylimidazo[4,5-c]quinolin-2-one
CID 123985108
4-[8-methoxy-1-[(2R)-1-methoxypropan-2-yl]-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;hydrochloride
CID 71259053
ethane;4-[8-methoxy-1-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 144547349
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-yl)-3H-imidazo[4,5-c]quinolin-2-one
CID 164623489
2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methoxy-2-nitrophenyl]pentanenitrile
CID 145384653
4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-c]quinolin-2-yl]morpholine
CID 164621563
1-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
CID 164609567
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(2-methoxyethylamino)-3-nitrobenzoate
CID 35310270

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-(2-methoxyethyl)-3-nitroquinolin-4-amine;ethane?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-(2-methoxyethyl)-3-nitroquinolin-4-amine;ethane (CID 145190462) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-(2-methoxyethyl)-3-nitroquinolin-4-amine;ethane.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-(2-methoxyethyl)-3-nitroquinolin-4-amine;ethane?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-(2-methoxyethyl)-3-nitroquinolin-4-amine;ethane is CC.COCCNc1c([N+](=O)[O-])cnc2cc(-c3c(C)noc3C)c(OC)cc12.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-(2-methoxyethyl)-3-nitroquinolin-4-amine;ethane?
The InChIKey is KOTXNVMRRXQYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5.C2H6/c1-10-17(11(2)27-21-10)13-7-14-12(8-16(13)26-4)18(19-5-6-25-3)15(9-20-14)22(23)24;1-2/h7-9H,5-6H2,1-4H3,(H,19,20);1-2H3.
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-(2-methoxyethyl)-3-nitroquinolin-4-amine;ethane?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-(2-methoxyethyl)-3-nitroquinolin-4-amine;ethane has a molecular weight of 402.45 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-(2-methoxyethyl)-3-nitroquinolin-4-amine;ethane is sourced from PubChem (CID 145190462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).