3-(4-chlorophenyl)-1-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-(2-morpholin-4-ylethyl)urea

C25H33ClN4O2 — CID 15995461

IUPAC3-(4-chlorophenyl)-1-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-(2-morpholin-4-ylethyl)urea
SMILESCCN1CCCc2cc(CN(CCN3CCOCC3)C(=O)Nc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C25H33ClN4O2/c1-2-29-11-3-4-21-18-20(5-10-24(21)29)19-30(13-12-28-14-16-32-17-15-28)25(31)27-23-8-6-22(26)7-9-23/h5-10,18H,2-4,11-17,19H2,1H3,(H,27,31)
InChIKeyQXVDCHDNUDLZSN-UHFFFAOYSA-N
MW457.02 g/mol
LogP4.48
Rot. Bonds7

About 3-(4-chlorophenyl)-1-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-(2-morpholin-4-ylethyl)urea

3-(4-chlorophenyl)-1-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-(2-morpholin-4-ylethyl)urea (PubChem CID 15995461) has the molecular formula C25H33ClN4O2 and a molecular weight of 457.02 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-(2-morpholin-4-ylethyl)urea
PubChem CID15995461
Molecular FormulaC25H33ClN4O2
Molecular Weight457.02 g/mol
Exact Mass456.23
IUPAC Name3-(4-chlorophenyl)-1-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-(2-morpholin-4-ylethyl)urea
SMILESCCN1CCCc2cc(CN(CCN3CCOCC3)C(=O)Nc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C25H33ClN4O2/c1-2-29-11-3-4-21-18-20(5-10-24(21)29)19-30(13-12-28-14-16-32-17-15-28)25(31)27-23-8-6-22(26)7-9-23/h5-10,18H,2-4,11-17,19H2,1H3,(H,27,31)
InChIKeyQXVDCHDNUDLZSN-UHFFFAOYSA-N
XLogP4.48
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.02
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 5011395
1-benzyl-3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)urea
CID 3249090
4-[3-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)propyl]morpholine
CID 170870224
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113117743
1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(4-propan-2-ylphenyl)urea
CID 17042756
3-(3-chloro-4-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]thiourea
CID 46373099
3-chloro-N-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]benzamide
CID 168865803
N-benzyl-2-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3575220
3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42701222
4-[3-(1-ethyl-2,3-dihydroindol-5-yl)propyl]morpholine
CID 170870656
3-(4-bromophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42697897
2-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 4106421

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 3-(4-chlorophenyl)-1-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-(2-morpholin-4-ylethyl)urea (CID 15995461) is 3-(4-chlorophenyl)-1-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 3-(4-chlorophenyl)-1-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-(2-morpholin-4-ylethyl)urea is CCN1CCCc2cc(CN(CCN3CCOCC3)C(=O)Nc3ccc(Cl)cc3)ccc21.
What is the InChIKey of 3-(4-chlorophenyl)-1-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-(2-morpholin-4-ylethyl)urea?
The InChIKey is QXVDCHDNUDLZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN4O2/c1-2-29-11-3-4-21-18-20(5-10-24(21)29)19-30(13-12-28-14-16-32-17-15-28)25(31)27-23-8-6-22(26)7-9-23/h5-10,18H,2-4,11-17,19H2,1H3,(H,27,31).
What are the key properties of 3-(4-chlorophenyl)-1-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-(2-morpholin-4-ylethyl)urea?
3-(4-chlorophenyl)-1-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 457.02 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 15995461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).