1-(1-benzylpiperidin-4-yl)-3-quinolin-4-ylurea;hydrochloride

C22H25ClN4O — CID 44533798

IUPAC1-(1-benzylpiperidin-4-yl)-3-quinolin-4-ylurea;hydrochloride
SMILESCl.O=C(Nc1ccnc2ccccc12)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24N4O.ClH/c27-22(25-21-10-13-23-20-9-5-4-8-19(20)21)24-18-11-14-26(15-12-18)16-17-6-2-1-3-7-17;/h1-10,13,18H,11-12,14-16H2,(H2,23,24,25,27);1H
InChIKeyFTZIFPXLPPWIOV-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.44
Rot. Bonds4

About 1-(1-benzylpiperidin-4-yl)-3-quinolin-4-ylurea;hydrochloride

1-(1-benzylpiperidin-4-yl)-3-quinolin-4-ylurea;hydrochloride (PubChem CID 44533798) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-quinolin-4-ylurea;hydrochloride.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-quinolin-4-ylurea;hydrochloride
PubChem CID44533798
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-quinolin-4-ylurea;hydrochloride
SMILESCl.O=C(Nc1ccnc2ccccc12)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24N4O.ClH/c27-22(25-21-10-13-23-20-9-5-4-8-19(20)21)24-18-11-14-26(15-12-18)16-17-6-2-1-3-7-17;/h1-10,13,18H,11-12,14-16H2,(H2,23,24,25,27);1H
InChIKeyFTZIFPXLPPWIOV-UHFFFAOYSA-N
XLogP4.44
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzylpiperidin-4-yl)-3-quinolin-4-ylurea;hydrochloride 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

CID 11292933
CID 11292933
CID 71166
CID 71166
CID 25154868
CID 25154868
CID 68281
CID 68281
CID 1534386
CID 1534386
CID 53325874
CID 53325874
CID 256661
CID 256661
CID 667555
CID 667555
CID 53313
CID 53313
CID 4331799
CID 4331799
CID 9811445
CID 9811445
CID 656986
CID 656986

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-quinolin-4-ylurea;hydrochloride?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-quinolin-4-ylurea;hydrochloride (CID 44533798) is 1-(1-benzylpiperidin-4-yl)-3-quinolin-4-ylurea;hydrochloride.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-quinolin-4-ylurea;hydrochloride?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-quinolin-4-ylurea;hydrochloride is Cl.O=C(Nc1ccnc2ccccc12)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-quinolin-4-ylurea;hydrochloride?
The InChIKey is FTZIFPXLPPWIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O.ClH/c27-22(25-21-10-13-23-20-9-5-4-8-19(20)21)24-18-11-14-26(15-12-18)16-17-6-2-1-3-7-17;/h1-10,13,18H,11-12,14-16H2,(H2,23,24,25,27);1H.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-quinolin-4-ylurea;hydrochloride?
1-(1-benzylpiperidin-4-yl)-3-quinolin-4-ylurea;hydrochloride has a molecular weight of 396.92 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-quinolin-4-ylurea;hydrochloride is sourced from PubChem (CID 44533798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).