propan-2-yl N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]carbamate

C26H32N4O2 — CID 57478300

IUPACpropan-2-yl N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]carbamate
SMILESCc1ccc2c(N3CCN(CCc4cccc(NC(=O)OC(C)C)c4)CC3)cccc2n1
InChIInChI=1S/C26H32N4O2/c1-19(2)32-26(31)28-22-7-4-6-21(18-22)12-13-29-14-16-30(17-15-29)25-9-5-8-24-23(25)11-10-20(3)27-24/h4-11,18-19H,12-17H2,1-3H3,(H,28,31)
InChIKeyCALJUTLHNYEVPO-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.86
Rot. Bonds6

About propan-2-yl N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]carbamate

propan-2-yl N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]carbamate (PubChem CID 57478300) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is propan-2-yl N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]carbamate
PubChem CID57478300
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Namepropan-2-yl N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]carbamate
SMILESCc1ccc2c(N3CCN(CCc4cccc(NC(=O)OC(C)C)c4)CC3)cccc2n1
InChIInChI=1S/C26H32N4O2/c1-19(2)32-26(31)28-22-7-4-6-21(18-22)12-13-29-14-16-30(17-15-29)25-9-5-8-24-23(25)11-10-20(3)27-24/h4-11,18-19H,12-17H2,1-3H3,(H,28,31)
InChIKeyCALJUTLHNYEVPO-UHFFFAOYSA-N
XLogP4.86
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]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

2,2-dimethyl-N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]butanamide
CID 174516344
[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl] N-(2-methylpropyl)carbamate
CID 91385750
1-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-3-[2-(trifluoromethyl)phenyl]urea;dihydrochloride
CID 57478314
5-[4-[2-(3-iodophenyl)ethyl]piperazin-1-yl]-2-methylquinoline
CID 57444355
benzyl-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]carbamic acid
CID 68868420
1-butan-2-yl-1-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]urea;dihydrochloride
CID 174502193
1,3-bis(4-fluorophenyl)-1-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]urea;hydrochloride
CID 142758534
[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-propylcarbamic acid;dihydrochloride
CID 68869451
1,3-dicyclopentyl-1-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]urea;hydrochloride
CID 142758522
5-[4-[2-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)phenyl]ethyl]piperazin-1-yl]-2-methylquinoline
CID 86608443
1,3-dicyclohexyl-1-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]urea;hydrochloride
CID 142758530
3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1H-imidazol-2-one;dihydrochloride
CID 57478376

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]carbamate?
The IUPAC name of propan-2-yl N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]carbamate (CID 57478300) is propan-2-yl N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]carbamate?
The canonical SMILES for propan-2-yl N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]carbamate is Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)OC(C)C)c4)CC3)cccc2n1.
What is the InChIKey of propan-2-yl N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]carbamate?
The InChIKey is CALJUTLHNYEVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-19(2)32-26(31)28-22-7-4-6-21(18-22)12-13-29-14-16-30(17-15-29)25-9-5-8-24-23(25)11-10-20(3)27-24/h4-11,18-19H,12-17H2,1-3H3,(H,28,31).
What are the key properties of propan-2-yl N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]carbamate?
propan-2-yl N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]carbamate has a molecular weight of 432.57 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]carbamate is sourced from PubChem (CID 57478300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).