1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea

C21H24ClN3O — CID 56800336

IUPAC1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
SMILESCN1CCCc2cc(CNC(=O)NC3CCc4c(Cl)cccc43)ccc21
InChIInChI=1S/C21H24ClN3O/c1-25-11-3-4-15-12-14(7-10-20(15)25)13-23-21(26)24-19-9-8-16-17(19)5-2-6-18(16)22/h2,5-7,10,12,19H,3-4,8-9,11,13H2,1H3,(H2,23,24,26)
InChIKeyTVNTUMOGDRJPPG-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.21
Rot. Bonds3

About 1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea

1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea (PubChem CID 56800336) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
PubChem CID56800336
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
SMILESCN1CCCc2cc(CNC(=O)NC3CCc4c(Cl)cccc43)ccc21
InChIInChI=1S/C21H24ClN3O/c1-25-11-3-4-15-12-14(7-10-20(15)25)13-23-21(26)24-19-9-8-16-17(19)5-2-6-18(16)22/h2,5-7,10,12,19H,3-4,8-9,11,13H2,1H3,(H2,23,24,26)
InChIKeyTVNTUMOGDRJPPG-UHFFFAOYSA-N
XLogP4.21
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea 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

1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 97016691
1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 71886534
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099812
1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
CID 110478717
1-benzyl-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea
CID 110750894
(3S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95168266
3-(4-chloro-2,3-dihydro-1H-inden-1-yl)-1-methyl-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 71879257
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 56800974
1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111505257
1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea
CID 97227324
[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea
CID 129403037
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
CID 86870775

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea?
The IUPAC name of 1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea (CID 56800336) is 1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea.
What is the SMILES notation for 1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea?
The canonical SMILES for 1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea is CN1CCCc2cc(CNC(=O)NC3CCc4c(Cl)cccc43)ccc21.
What is the InChIKey of 1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea?
The InChIKey is TVNTUMOGDRJPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c1-25-11-3-4-15-12-14(7-10-20(15)25)13-23-21(26)24-19-9-8-16-17(19)5-2-6-18(16)22/h2,5-7,10,12,19H,3-4,8-9,11,13H2,1H3,(H2,23,24,26).
What are the key properties of 1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea?
1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea has a molecular weight of 369.90 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea is sourced from PubChem (CID 56800336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).