[1-[(6-chloroquinoline-2-carbonyl)amino]piperidin-4-yl]methyl carbamate

C17H19ClN4O3 — CID 175221856

IUPAC[1-[(6-chloroquinoline-2-carbonyl)amino]piperidin-4-yl]methyl carbamate
SMILESNC(=O)OCC1CCN(NC(=O)c2ccc3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C17H19ClN4O3/c18-13-2-4-14-12(9-13)1-3-15(20-14)16(23)21-22-7-5-11(6-8-22)10-25-17(19)24/h1-4,9,11H,5-8,10H2,(H2,19,24)(H,21,23)
InChIKeyRLLULBZGMGDPAS-UHFFFAOYSA-N
MW362.82 g/mol
LogP2.34
Rot. Bonds4

About [1-[(6-chloroquinoline-2-carbonyl)amino]piperidin-4-yl]methyl carbamate

[1-[(6-chloroquinoline-2-carbonyl)amino]piperidin-4-yl]methyl carbamate (PubChem CID 175221856) has the molecular formula C17H19ClN4O3 and a molecular weight of 362.82 g/mol. Its IUPAC name is [1-[(6-chloroquinoline-2-carbonyl)amino]piperidin-4-yl]methyl carbamate.

Molecular Properties

Compound Name[1-[(6-chloroquinoline-2-carbonyl)amino]piperidin-4-yl]methyl carbamate
PubChem CID175221856
Molecular FormulaC17H19ClN4O3
Molecular Weight362.82 g/mol
Exact Mass362.11
IUPAC Name[1-[(6-chloroquinoline-2-carbonyl)amino]piperidin-4-yl]methyl carbamate
SMILESNC(=O)OCC1CCN(NC(=O)c2ccc3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C17H19ClN4O3/c18-13-2-4-14-12(9-13)1-3-15(20-14)16(23)21-22-7-5-11(6-8-22)10-25-17(19)24/h1-4,9,11H,5-8,10H2,(H2,19,24)(H,21,23)
InChIKeyRLLULBZGMGDPAS-UHFFFAOYSA-N
XLogP2.34
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-[(6-chloroquinoline-2-carbonyl)amino]piperidin-4-yl]methyl carbamate with MolForge

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Related Compounds

tert-butyl N-[[1-[(6-chloroquinoline-2-carbonyl)amino]piperidin-4-yl]methyl]carbamate
CID 155741710
6-chloro-N-[4-[(3S)-4-(4-chloro-3-fluorophenoxy)-3-hydroxybutyl]piperidin-1-yl]quinoline-2-carboxamide;sulfane
CID 163693863
6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-1-yl]quinoline-2-carboxamide
CID 146458048
6-chloro-N-[4-[3-(4-chloro-3-fluorophenoxy)propylamino]piperidin-1-yl]quinoline-2-carboxamide
CID 166828255
N-[4-(aminomethyl)cyclohexyl]-6-chloroquinoline-2-carboxamide
CID 155391375
tert-butyl 4-[[(6-chloroquinoline-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 155391643
6-chloro-N-ethenylquinoline-2-carboxamide
CID 142528141
[4-[(6-chloroquinoline-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate
CID 146506270
tert-butyl 4-[(6-chloroquinoline-2-carbonyl)amino]piperidine-1-carboxylate
CID 139512502
[3-[[(6-chloroquinoline-2-carbonyl)amino]methyl]cyclopentyl]carbamic acid
CID 155069060
[1-(6-bromoquinoline-2-carbonyl)azetidin-2-yl]methyl carbamate
CID 175074313
6-chloro-N-[1-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]piperidin-4-yl]quinoline-2-carboxamide
CID 158469591

Frequently Asked Questions

What is the IUPAC name of [1-[(6-chloroquinoline-2-carbonyl)amino]piperidin-4-yl]methyl carbamate?
The IUPAC name of [1-[(6-chloroquinoline-2-carbonyl)amino]piperidin-4-yl]methyl carbamate (CID 175221856) is [1-[(6-chloroquinoline-2-carbonyl)amino]piperidin-4-yl]methyl carbamate.
What is the SMILES notation for [1-[(6-chloroquinoline-2-carbonyl)amino]piperidin-4-yl]methyl carbamate?
The canonical SMILES for [1-[(6-chloroquinoline-2-carbonyl)amino]piperidin-4-yl]methyl carbamate is NC(=O)OCC1CCN(NC(=O)c2ccc3cc(Cl)ccc3n2)CC1.
What is the InChIKey of [1-[(6-chloroquinoline-2-carbonyl)amino]piperidin-4-yl]methyl carbamate?
The InChIKey is RLLULBZGMGDPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O3/c18-13-2-4-14-12(9-13)1-3-15(20-14)16(23)21-22-7-5-11(6-8-22)10-25-17(19)24/h1-4,9,11H,5-8,10H2,(H2,19,24)(H,21,23).
What are the key properties of [1-[(6-chloroquinoline-2-carbonyl)amino]piperidin-4-yl]methyl carbamate?
[1-[(6-chloroquinoline-2-carbonyl)amino]piperidin-4-yl]methyl carbamate has a molecular weight of 362.82 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-chloroquinoline-2-carbonyl)amino]piperidin-4-yl]methyl carbamate is sourced from PubChem (CID 175221856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).