[4-butyl-6-hydroxy-2-(2-methylpropyl)quinolin-3-yl]methylcarbamic acid

C19H26N2O3 — CID 68830103

IUPAC[4-butyl-6-hydroxy-2-(2-methylpropyl)quinolin-3-yl]methylcarbamic acid
SMILESCCCCc1c(CNC(=O)O)c(CC(C)C)nc2ccc(O)cc12
InChIInChI=1S/C19H26N2O3/c1-4-5-6-14-15-10-13(22)7-8-17(15)21-18(9-12(2)3)16(14)11-20-19(23)24/h7-8,10,12,20,22H,4-6,9,11H2,1-3H3,(H,23,24)
InChIKeyKTVZOKXPCCXVRS-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.25
Rot. Bonds7

About [4-butyl-6-hydroxy-2-(2-methylpropyl)quinolin-3-yl]methylcarbamic acid

[4-butyl-6-hydroxy-2-(2-methylpropyl)quinolin-3-yl]methylcarbamic acid (PubChem CID 68830103) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is [4-butyl-6-hydroxy-2-(2-methylpropyl)quinolin-3-yl]methylcarbamic acid.

Molecular Properties

Compound Name[4-butyl-6-hydroxy-2-(2-methylpropyl)quinolin-3-yl]methylcarbamic acid
PubChem CID68830103
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name[4-butyl-6-hydroxy-2-(2-methylpropyl)quinolin-3-yl]methylcarbamic acid
SMILESCCCCc1c(CNC(=O)O)c(CC(C)C)nc2ccc(O)cc12
InChIInChI=1S/C19H26N2O3/c1-4-5-6-14-15-10-13(22)7-8-17(15)21-18(9-12(2)3)16(14)11-20-19(23)24/h7-8,10,12,20,22H,4-6,9,11H2,1-3H3,(H,23,24)
InChIKeyKTVZOKXPCCXVRS-UHFFFAOYSA-N
XLogP4.25
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-butyl-6-hydroxy-2-(2-methylpropyl)quinolin-3-yl]methylcarbamic acid?
The IUPAC name of [4-butyl-6-hydroxy-2-(2-methylpropyl)quinolin-3-yl]methylcarbamic acid (CID 68830103) is [4-butyl-6-hydroxy-2-(2-methylpropyl)quinolin-3-yl]methylcarbamic acid.
What is the SMILES notation for [4-butyl-6-hydroxy-2-(2-methylpropyl)quinolin-3-yl]methylcarbamic acid?
The canonical SMILES for [4-butyl-6-hydroxy-2-(2-methylpropyl)quinolin-3-yl]methylcarbamic acid is CCCCc1c(CNC(=O)O)c(CC(C)C)nc2ccc(O)cc12.
What is the InChIKey of [4-butyl-6-hydroxy-2-(2-methylpropyl)quinolin-3-yl]methylcarbamic acid?
The InChIKey is KTVZOKXPCCXVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-4-5-6-14-15-10-13(22)7-8-17(15)21-18(9-12(2)3)16(14)11-20-19(23)24/h7-8,10,12,20,22H,4-6,9,11H2,1-3H3,(H,23,24).
What are the key properties of [4-butyl-6-hydroxy-2-(2-methylpropyl)quinolin-3-yl]methylcarbamic acid?
[4-butyl-6-hydroxy-2-(2-methylpropyl)quinolin-3-yl]methylcarbamic acid has a molecular weight of 330.43 g/mol, XLogP of 4.25, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-butyl-6-hydroxy-2-(2-methylpropyl)quinolin-3-yl]methylcarbamic acid is sourced from PubChem (CID 68830103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).