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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Related Compounds

2,2'-({3-[(6-Ethyl-4-methylquinolin-2-yl)amino]propyl}imino)diethanol
CID 46988044
1-[4-[[6-(3-fluorophenyl)-2-[[(2R)-1-hydroxypropan-2-yl]amino]quinazolin-4-yl]amino]cyclohexyl]-3-propan-2-ylurea
CID 145965177
1-[4-[[6-(3-Fluorophenyl)-2-(2-methoxyethylamino)quinazolin-4-yl]amino]cyclohexyl]-3-propan-2-ylurea
CID 145965832
1-cyclopropyl-3-[4-[[6-(3-fluorophenyl)-2-[[(2R)-1-methoxypropan-2-yl]amino]quinazolin-4-yl]amino]cyclohexyl]urea
CID 145966623
1-[4-[[6-(3-Fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]amino]cyclohexyl]-3-propan-2-ylurea
CID 145969643
1-cyclopropyl-3-[4-[[6-(3-fluorophenyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]quinazolin-4-yl]amino]cyclohexyl]urea
CID 145972874
1-[4-[[6-(3-fluorophenyl)-2-[[(2R)-1-methoxypropan-2-yl]amino]quinazolin-4-yl]amino]cyclohexyl]-3-propan-2-ylurea
CID 145976372
N-[2-(3,6-Dimethyl-quinolin-2-ylamino)-ethyl]-2-methoxy-acetamide
CID 647352
N-[3-[(3-cyano-8-methylquinolin-2-yl)amino]propyl]propanamide
CID 3221713
N-(2-methoxyethyl)quinolin-2-amine
CID 29051363
US9670212, 21 N,N''-dimethyl-N-[8-methyl-3-(morpholin-4-ylmethyl)quinolin-2-yl]ethane-1,2-diamine
CID 66802121
2-[(4-Methylquinolin-2-yl)amino]ethanol
CID 1602365

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).