1-[8-chloro-2-[methyl(pyridin-2-yl)amino]quinolin-3-yl]ethylcarbamic acid

C18H17ClN4O2 — CID 66822641

IUPAC1-[8-chloro-2-[methyl(pyridin-2-yl)amino]quinolin-3-yl]ethylcarbamic acid
SMILESCC(NC(=O)O)c1cc2cccc(Cl)c2nc1N(C)c1ccccn1
InChIInChI=1S/C18H17ClN4O2/c1-11(21-18(24)25)13-10-12-6-5-7-14(19)16(12)22-17(13)23(2)15-8-3-4-9-20-15/h3-11,21H,1-2H3,(H,24,25)
InChIKeyACYFIYCCCNLXKF-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.38
Rot. Bonds4

About 1-[8-chloro-2-[methyl(pyridin-2-yl)amino]quinolin-3-yl]ethylcarbamic acid

1-[8-chloro-2-[methyl(pyridin-2-yl)amino]quinolin-3-yl]ethylcarbamic acid (PubChem CID 66822641) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 1-[8-chloro-2-[methyl(pyridin-2-yl)amino]quinolin-3-yl]ethylcarbamic acid.

Molecular Properties

Compound Name1-[8-chloro-2-[methyl(pyridin-2-yl)amino]quinolin-3-yl]ethylcarbamic acid
PubChem CID66822641
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name1-[8-chloro-2-[methyl(pyridin-2-yl)amino]quinolin-3-yl]ethylcarbamic acid
SMILESCC(NC(=O)O)c1cc2cccc(Cl)c2nc1N(C)c1ccccn1
InChIInChI=1S/C18H17ClN4O2/c1-11(21-18(24)25)13-10-12-6-5-7-14(19)16(12)22-17(13)23(2)15-8-3-4-9-20-15/h3-11,21H,1-2H3,(H,24,25)
InChIKeyACYFIYCCCNLXKF-UHFFFAOYSA-N
XLogP4.38
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[8-chloro-2-[methyl(pyridin-2-yl)amino]quinolin-3-yl]ethylcarbamic acid?
The IUPAC name of 1-[8-chloro-2-[methyl(pyridin-2-yl)amino]quinolin-3-yl]ethylcarbamic acid (CID 66822641) is 1-[8-chloro-2-[methyl(pyridin-2-yl)amino]quinolin-3-yl]ethylcarbamic acid.
What is the SMILES notation for 1-[8-chloro-2-[methyl(pyridin-2-yl)amino]quinolin-3-yl]ethylcarbamic acid?
The canonical SMILES for 1-[8-chloro-2-[methyl(pyridin-2-yl)amino]quinolin-3-yl]ethylcarbamic acid is CC(NC(=O)O)c1cc2cccc(Cl)c2nc1N(C)c1ccccn1.
What is the InChIKey of 1-[8-chloro-2-[methyl(pyridin-2-yl)amino]quinolin-3-yl]ethylcarbamic acid?
The InChIKey is ACYFIYCCCNLXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-11(21-18(24)25)13-10-12-6-5-7-14(19)16(12)22-17(13)23(2)15-8-3-4-9-20-15/h3-11,21H,1-2H3,(H,24,25).
What are the key properties of 1-[8-chloro-2-[methyl(pyridin-2-yl)amino]quinolin-3-yl]ethylcarbamic acid?
1-[8-chloro-2-[methyl(pyridin-2-yl)amino]quinolin-3-yl]ethylcarbamic acid has a molecular weight of 356.81 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-chloro-2-[methyl(pyridin-2-yl)amino]quinolin-3-yl]ethylcarbamic acid is sourced from PubChem (CID 66822641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).