[3-[[(6-chloroquinoline-2-carbonyl)amino]methyl]cyclopentyl]carbamic acid

C17H18ClN3O3 — CID 155069060

IUPAC[3-[[(6-chloroquinoline-2-carbonyl)amino]methyl]cyclopentyl]carbamic acid
SMILESO=C(O)NC1CCC(CNC(=O)c2ccc3cc(Cl)ccc3n2)C1
InChIInChI=1S/C17H18ClN3O3/c18-12-3-6-14-11(8-12)2-5-15(21-14)16(22)19-9-10-1-4-13(7-10)20-17(23)24/h2-3,5-6,8,10,13,20H,1,4,7,9H2,(H,19,22)(H,23,24)
InChIKeyGOZCDMPGQMVJRZ-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.05
Rot. Bonds4

About [3-[[(6-chloroquinoline-2-carbonyl)amino]methyl]cyclopentyl]carbamic acid

[3-[[(6-chloroquinoline-2-carbonyl)amino]methyl]cyclopentyl]carbamic acid (PubChem CID 155069060) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is [3-[[(6-chloroquinoline-2-carbonyl)amino]methyl]cyclopentyl]carbamic acid.

Molecular Properties

Compound Name[3-[[(6-chloroquinoline-2-carbonyl)amino]methyl]cyclopentyl]carbamic acid
PubChem CID155069060
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name[3-[[(6-chloroquinoline-2-carbonyl)amino]methyl]cyclopentyl]carbamic acid
SMILESO=C(O)NC1CCC(CNC(=O)c2ccc3cc(Cl)ccc3n2)C1
InChIInChI=1S/C17H18ClN3O3/c18-12-3-6-14-11(8-12)2-5-15(21-14)16(22)19-9-10-1-4-13(7-10)20-17(23)24/h2-3,5-6,8,10,13,20H,1,4,7,9H2,(H,19,22)(H,23,24)
InChIKeyGOZCDMPGQMVJRZ-UHFFFAOYSA-N
XLogP3.05
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[[(6-chloroquinoline-2-carbonyl)amino]methyl]cyclopentyl]carbamic acid?
The IUPAC name of [3-[[(6-chloroquinoline-2-carbonyl)amino]methyl]cyclopentyl]carbamic acid (CID 155069060) is [3-[[(6-chloroquinoline-2-carbonyl)amino]methyl]cyclopentyl]carbamic acid.
What is the SMILES notation for [3-[[(6-chloroquinoline-2-carbonyl)amino]methyl]cyclopentyl]carbamic acid?
The canonical SMILES for [3-[[(6-chloroquinoline-2-carbonyl)amino]methyl]cyclopentyl]carbamic acid is O=C(O)NC1CCC(CNC(=O)c2ccc3cc(Cl)ccc3n2)C1.
What is the InChIKey of [3-[[(6-chloroquinoline-2-carbonyl)amino]methyl]cyclopentyl]carbamic acid?
The InChIKey is GOZCDMPGQMVJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c18-12-3-6-14-11(8-12)2-5-15(21-14)16(22)19-9-10-1-4-13(7-10)20-17(23)24/h2-3,5-6,8,10,13,20H,1,4,7,9H2,(H,19,22)(H,23,24).
What are the key properties of [3-[[(6-chloroquinoline-2-carbonyl)amino]methyl]cyclopentyl]carbamic acid?
[3-[[(6-chloroquinoline-2-carbonyl)amino]methyl]cyclopentyl]carbamic acid has a molecular weight of 347.80 g/mol, XLogP of 3.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(6-chloroquinoline-2-carbonyl)amino]methyl]cyclopentyl]carbamic acid is sourced from PubChem (CID 155069060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).