1-[7-fluoro-2-(2-methoxyethylamino)-8-methylquinolin-3-yl]ethylcarbamic acid

C16H20FN3O3 — CID 66822102

IUPAC1-[7-fluoro-2-(2-methoxyethylamino)-8-methylquinolin-3-yl]ethylcarbamic acid
SMILESCOCCNc1nc2c(C)c(F)ccc2cc1C(C)NC(=O)O
InChIInChI=1S/C16H20FN3O3/c1-9-13(17)5-4-11-8-12(10(2)19-16(21)22)15(20-14(9)11)18-6-7-23-3/h4-5,8,10,19H,6-7H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyZSKODUDCLTXIDR-UHFFFAOYSA-N
MW321.35 g/mol
LogP3.07
Rot. Bonds6

About 1-[7-fluoro-2-(2-methoxyethylamino)-8-methylquinolin-3-yl]ethylcarbamic acid

1-[7-fluoro-2-(2-methoxyethylamino)-8-methylquinolin-3-yl]ethylcarbamic acid (PubChem CID 66822102) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is 1-[7-fluoro-2-(2-methoxyethylamino)-8-methylquinolin-3-yl]ethylcarbamic acid.

Molecular Properties

Compound Name1-[7-fluoro-2-(2-methoxyethylamino)-8-methylquinolin-3-yl]ethylcarbamic acid
PubChem CID66822102
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name1-[7-fluoro-2-(2-methoxyethylamino)-8-methylquinolin-3-yl]ethylcarbamic acid
SMILESCOCCNc1nc2c(C)c(F)ccc2cc1C(C)NC(=O)O
InChIInChI=1S/C16H20FN3O3/c1-9-13(17)5-4-11-8-12(10(2)19-16(21)22)15(20-14(9)11)18-6-7-23-3/h4-5,8,10,19H,6-7H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyZSKODUDCLTXIDR-UHFFFAOYSA-N
XLogP3.07
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[7-fluoro-2-(2-methoxyethylamino)-8-methylquinolin-3-yl]ethylcarbamic acid?
The IUPAC name of 1-[7-fluoro-2-(2-methoxyethylamino)-8-methylquinolin-3-yl]ethylcarbamic acid (CID 66822102) is 1-[7-fluoro-2-(2-methoxyethylamino)-8-methylquinolin-3-yl]ethylcarbamic acid.
What is the SMILES notation for 1-[7-fluoro-2-(2-methoxyethylamino)-8-methylquinolin-3-yl]ethylcarbamic acid?
The canonical SMILES for 1-[7-fluoro-2-(2-methoxyethylamino)-8-methylquinolin-3-yl]ethylcarbamic acid is COCCNc1nc2c(C)c(F)ccc2cc1C(C)NC(=O)O.
What is the InChIKey of 1-[7-fluoro-2-(2-methoxyethylamino)-8-methylquinolin-3-yl]ethylcarbamic acid?
The InChIKey is ZSKODUDCLTXIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3/c1-9-13(17)5-4-11-8-12(10(2)19-16(21)22)15(20-14(9)11)18-6-7-23-3/h4-5,8,10,19H,6-7H2,1-3H3,(H,18,20)(H,21,22).
What are the key properties of 1-[7-fluoro-2-(2-methoxyethylamino)-8-methylquinolin-3-yl]ethylcarbamic acid?
1-[7-fluoro-2-(2-methoxyethylamino)-8-methylquinolin-3-yl]ethylcarbamic acid has a molecular weight of 321.35 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-fluoro-2-(2-methoxyethylamino)-8-methylquinolin-3-yl]ethylcarbamic acid is sourced from PubChem (CID 66822102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).