1-(2,5-dichlorophenyl)-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]urea

C19H21Cl2N3O — CID 10172651

IUPAC1-(2,5-dichlorophenyl)-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]urea
SMILESCc1ccc2c(c1)CCCN2CCNC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H21Cl2N3O/c1-13-4-7-18-14(11-13)3-2-9-24(18)10-8-22-19(25)23-17-12-15(20)5-6-16(17)21/h4-7,11-12H,2-3,8-10H2,1H3,(H2,22,23,25)
InChIKeyIPYVTUJPONJRJH-UHFFFAOYSA-N
MW378.30 g/mol
LogP4.88
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]urea

1-(2,5-dichlorophenyl)-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]urea (PubChem CID 10172651) has the molecular formula C19H21Cl2N3O and a molecular weight of 378.30 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]urea
PubChem CID10172651
Molecular FormulaC19H21Cl2N3O
Molecular Weight378.30 g/mol
Exact Mass377.11
IUPAC Name1-(2,5-dichlorophenyl)-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]urea
SMILESCc1ccc2c(c1)CCCN2CCNC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H21Cl2N3O/c1-13-4-7-18-14(11-13)3-2-9-24(18)10-8-22-19(25)23-17-12-15(20)5-6-16(17)21/h4-7,11-12H,2-3,8-10H2,1H3,(H2,22,23,25)
InChIKeyIPYVTUJPONJRJH-UHFFFAOYSA-N
XLogP4.88
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]urea (CID 10172651) is 1-(2,5-dichlorophenyl)-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]urea is Cc1ccc2c(c1)CCCN2CCNC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]urea?
The InChIKey is IPYVTUJPONJRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O/c1-13-4-7-18-14(11-13)3-2-9-24(18)10-8-22-19(25)23-17-12-15(20)5-6-16(17)21/h4-7,11-12H,2-3,8-10H2,1H3,(H2,22,23,25).
What are the key properties of 1-(2,5-dichlorophenyl)-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]urea?
1-(2,5-dichlorophenyl)-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]urea has a molecular weight of 378.30 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]urea is sourced from PubChem (CID 10172651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).