tert-butyl N-[1-(3-chloroquinolin-4-yl)piperidin-4-yl]carbamate

C19H24ClN3O2 — CID 139326760

IUPACtert-butyl N-[1-(3-chloroquinolin-4-yl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2c(Cl)cnc3ccccc23)CC1
InChIInChI=1S/C19H24ClN3O2/c1-19(2,3)25-18(24)22-13-8-10-23(11-9-13)17-14-6-4-5-7-16(14)21-12-15(17)20/h4-7,12-13H,8-11H2,1-3H3,(H,22,24)
InChIKeyRNWOIFBNPOSPAP-UHFFFAOYSA-N
MW361.87 g/mol
LogP4.38
Rot. Bonds2

About tert-butyl N-[1-(3-chloroquinolin-4-yl)piperidin-4-yl]carbamate

tert-butyl N-[1-(3-chloroquinolin-4-yl)piperidin-4-yl]carbamate (PubChem CID 139326760) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is tert-butyl N-[1-(3-chloroquinolin-4-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-chloroquinolin-4-yl)piperidin-4-yl]carbamate
PubChem CID139326760
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Nametert-butyl N-[1-(3-chloroquinolin-4-yl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2c(Cl)cnc3ccccc23)CC1
InChIInChI=1S/C19H24ClN3O2/c1-19(2,3)25-18(24)22-13-8-10-23(11-9-13)17-14-6-4-5-7-16(14)21-12-15(17)20/h4-7,12-13H,8-11H2,1-3H3,(H,22,24)
InChIKeyRNWOIFBNPOSPAP-UHFFFAOYSA-N
XLogP4.38
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-(3-chloroquinolin-4-yl)piperidin-4-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(3S)-1-(3-cyanoquinolin-4-yl)pyrrolidin-3-yl]carbamate
CID 133380947
tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate
CID 71632141
tert-butyl N-[1-(2-pyrrolidin-1-ylphenyl)piperidin-4-yl]carbamate
CID 168513935
tert-butyl N-[1-(2-chloro-4-pyridinyl)piperidin-4-yl]carbamate
CID 86656708
tert-butyl N-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]carbamate
CID 133400609
tert-butyl N-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbamate
CID 71632159
tert-butyl N-[1-(3-bromo-5-chloro-4-pyridinyl)pyrrolidin-3-yl]carbamate
CID 139392588
tert-butyl N-[1-[6-bromo-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-yl]carbamate
CID 171535239
tert-butyl N-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]carbamate
CID 71632096
tert-butyl N-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]carbamate
CID 133293160
tert-butyl N-[(3S)-1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 133400783
tert-butyl N-[1-[(4-methylquinazolin-2-yl)methyl]piperidin-4-yl]carbamate
CID 60512788

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-chloroquinolin-4-yl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(3-chloroquinolin-4-yl)piperidin-4-yl]carbamate (CID 139326760) is tert-butyl N-[1-(3-chloroquinolin-4-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3-chloroquinolin-4-yl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3-chloroquinolin-4-yl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(c2c(Cl)cnc3ccccc23)CC1.
What is the InChIKey of tert-butyl N-[1-(3-chloroquinolin-4-yl)piperidin-4-yl]carbamate?
The InChIKey is RNWOIFBNPOSPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-19(2,3)25-18(24)22-13-8-10-23(11-9-13)17-14-6-4-5-7-16(14)21-12-15(17)20/h4-7,12-13H,8-11H2,1-3H3,(H,22,24).
What are the key properties of tert-butyl N-[1-(3-chloroquinolin-4-yl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(3-chloroquinolin-4-yl)piperidin-4-yl]carbamate has a molecular weight of 361.87 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3-chloroquinolin-4-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 139326760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).