1-benzhydryl-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea

C28H33N3O — CID 30379546

IUPAC1-benzhydryl-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
SMILESCCCN1CCCc2cc(CCNC(=O)NC(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C28H33N3O/c1-2-19-31-20-9-14-25-21-22(15-16-26(25)31)17-18-29-28(32)30-27(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-8,10-13,15-16,21,27H,2,9,14,17-20H2,1H3,(H2,29,30,32)
InChIKeyOTPMFTCHKQJNEI-UHFFFAOYSA-N
MW427.59 g/mol
LogP5.48
Rot. Bonds8

About 1-benzhydryl-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea

1-benzhydryl-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea (PubChem CID 30379546) has the molecular formula C28H33N3O and a molecular weight of 427.59 g/mol. Its IUPAC name is 1-benzhydryl-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea.

Molecular Properties

Compound Name1-benzhydryl-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
PubChem CID30379546
Molecular FormulaC28H33N3O
Molecular Weight427.59 g/mol
Exact Mass427.26
IUPAC Name1-benzhydryl-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
SMILESCCCN1CCCc2cc(CCNC(=O)NC(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C28H33N3O/c1-2-19-31-20-9-14-25-21-22(15-16-26(25)31)17-18-29-28(32)30-27(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-8,10-13,15-16,21,27H,2,9,14,17-20H2,1H3,(H2,29,30,32)
InChIKeyOTPMFTCHKQJNEI-UHFFFAOYSA-N
XLogP5.48
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-benzhydryl-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea with MolForge

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Related Compounds

2-chloro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide
CID 16837170
1-(2-ethoxyphenyl)-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
CID 30379595
3,4-dimethyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide
CID 16837172
N'-[(4-methylphenyl)methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837402
N'-(2-cyanophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837423
N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 16837431
N'-(1,2-oxazol-3-yl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837421
N'-[[(2S)-oxolan-2-yl]methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 42065366
1-benzhydryl-3-[2-(4-methylphenyl)ethyl]urea
CID 108867607
N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N-propyloxamide
CID 16837312
1-cyclohexyl-3-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
CID 30379388
1-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 41327613

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea?
The IUPAC name of 1-benzhydryl-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea (CID 30379546) is 1-benzhydryl-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea.
What is the SMILES notation for 1-benzhydryl-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea?
The canonical SMILES for 1-benzhydryl-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea is CCCN1CCCc2cc(CCNC(=O)NC(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of 1-benzhydryl-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea?
The InChIKey is OTPMFTCHKQJNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O/c1-2-19-31-20-9-14-25-21-22(15-16-26(25)31)17-18-29-28(32)30-27(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-8,10-13,15-16,21,27H,2,9,14,17-20H2,1H3,(H2,29,30,32).
What are the key properties of 1-benzhydryl-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea?
1-benzhydryl-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea has a molecular weight of 427.59 g/mol, XLogP of 5.48, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea is sourced from PubChem (CID 30379546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).