3-(4-chlorophenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea

C25H29ClN4O3 — CID 3195139

IUPAC3-(4-chlorophenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea
SMILESCc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)Nc3ccc(Cl)cc3)cc2c1
InChIInChI=1S/C25H29ClN4O3/c1-18-3-8-23-19(15-18)16-20(24(31)28-23)17-30(10-2-9-29-11-13-33-14-12-29)25(32)27-22-6-4-21(26)5-7-22/h3-8,15-16H,2,9-14,17H2,1H3,(H,27,32)(H,28,31)
InChIKeyFYYUAHLHEURISX-UHFFFAOYSA-N
MW468.99 g/mol
LogP4.25
Rot. Bonds7

About 3-(4-chlorophenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea

3-(4-chlorophenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea (PubChem CID 3195139) has the molecular formula C25H29ClN4O3 and a molecular weight of 468.99 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea
PubChem CID3195139
Molecular FormulaC25H29ClN4O3
Molecular Weight468.99 g/mol
Exact Mass468.19
IUPAC Name3-(4-chlorophenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea
SMILESCc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)Nc3ccc(Cl)cc3)cc2c1
InChIInChI=1S/C25H29ClN4O3/c1-18-3-8-23-19(15-18)16-20(24(31)28-23)17-30(10-2-9-29-11-13-33-14-12-29)25(32)27-22-6-4-21(26)5-7-22/h3-8,15-16H,2,9-14,17H2,1H3,(H,27,32)(H,28,31)
InChIKeyFYYUAHLHEURISX-UHFFFAOYSA-N
XLogP4.25
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.99
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Chlorophenyl)-3-(4-(morpholine-4-carbonyl)phenyl)urea
CID 1845020
N-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-[2-(3-oxomorpholin-4-yl)ethyl]amino]-3-methylbenzamide
CID 168269266
6-chloro-3-(morpholinomethyl)-4-phenylquinolin-2(1H)-one
CID 659811
(2E)-3-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 1493877
3-(3-Chloro-phenyl)-1-(6-ethyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-1-(3-morpholin-4-yl-propyl)-urea
CID 649139
N-(4-chlorophenyl)-N'-[3-(4-morpholinylcarbonyl)phenyl]urea
CID 17205433
1-(4-Chlorophenyl)-3-(4-(4-morpholinopiperidine-1-carbonyl)phenyl)urea
CID 24945438
1-(4-Chlorophenyl)-3-(3-(4-morpholinopiperidine-1-carbonyl)phenyl)urea
CID 24945440
1-(4-Chlorophenyl)-3-(3-fluoro-4-(morpholine-4-carbonyl)phenyl)urea
CID 24945518
1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(2-methylphenyl)urea
CID 138456905
N-(4-acetylphenyl)-4-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-3-methylbenzamide
CID 168280445
N-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-yl-2-oxoethyl)amino]-3-methylbenzamide
CID 168293645

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea?
The IUPAC name of 3-(4-chlorophenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea (CID 3195139) is 3-(4-chlorophenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea?
The canonical SMILES for 3-(4-chlorophenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea is Cc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)Nc3ccc(Cl)cc3)cc2c1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea?
The InChIKey is FYYUAHLHEURISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O3/c1-18-3-8-23-19(15-18)16-20(24(31)28-23)17-30(10-2-9-29-11-13-33-14-12-29)25(32)27-22-6-4-21(26)5-7-22/h3-8,15-16H,2,9-14,17H2,1H3,(H,27,32)(H,28,31).
What are the key properties of 3-(4-chlorophenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea?
3-(4-chlorophenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea has a molecular weight of 468.99 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 3195139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).