1-[4-(2-morpholin-4-ylethoxy)-2-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea

C24H30F3N5O3 — CID 70886964

IUPAC1-[4-(2-morpholin-4-ylethoxy)-2-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
SMILESO=C(NCCc1ccc2c(n1)NCCC2)Nc1ccc(OCCN2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C24H30F3N5O3/c25-24(26,27)20-16-19(35-15-12-32-10-13-34-14-11-32)5-6-21(20)31-23(33)29-9-7-18-4-3-17-2-1-8-28-22(17)30-18/h3-6,16H,1-2,7-15H2,(H,28,30)(H2,29,31,33)
InChIKeyRWAZTGUILLWHIY-UHFFFAOYSA-N
MW493.53 g/mol
LogP3.53
Rot. Bonds8

About 1-[4-(2-morpholin-4-ylethoxy)-2-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea

1-[4-(2-morpholin-4-ylethoxy)-2-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea (PubChem CID 70886964) has the molecular formula C24H30F3N5O3 and a molecular weight of 493.53 g/mol. Its IUPAC name is 1-[4-(2-morpholin-4-ylethoxy)-2-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[4-(2-morpholin-4-ylethoxy)-2-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
PubChem CID70886964
Molecular FormulaC24H30F3N5O3
Molecular Weight493.53 g/mol
Exact Mass493.23
IUPAC Name1-[4-(2-morpholin-4-ylethoxy)-2-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
SMILESO=C(NCCc1ccc2c(n1)NCCC2)Nc1ccc(OCCN2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C24H30F3N5O3/c25-24(26,27)20-16-19(35-15-12-32-10-13-34-14-11-32)5-6-21(20)31-23(33)29-9-7-18-4-3-17-2-1-8-28-22(17)30-18/h3-6,16H,1-2,7-15H2,(H,28,30)(H2,29,31,33)
InChIKeyRWAZTGUILLWHIY-UHFFFAOYSA-N
XLogP3.53
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.53
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

8-[butyl(ethyl)amino]-4-(4-methoxy-2-methylphenyl)-6-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-2-one
CID 11417694
N-(4-methyl-2-(2-(piperidin-1-yl)ethylamino)quinolin-6-yl)-2-(4-(trifluoromethoxy)phenoxy)acetamide
CID 44407944
N-{4-[(4-{[4-(benzyloxy)phenyl]amino}quinazolin-6-yl)oxy]butyl}-2,2,2-trifluoroacetamide
CID 5329488
N-butyl-N-ethyl-4-(4-methoxy-2-methylphenyl)-6-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-8-amine
CID 24768329
6-methoxy-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)quinolin-2-amine
CID 24806071
4-(oxan-2-ylmethyl)-N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]propyl]piperazine-1-carboxamide;hydrochloride
CID 49860623
1-(3-oxo-4H-1,4-benzoxazin-8-yl)-3-[[6-(trifluoromethyl)-2-[4-tritio-4-(tritiomethyl)piperidin-1-yl]-3-pyridinyl]methyl]urea
CID 137648895
1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(3-oxo-4H-1,4-benzoxazin-8-yl)urea
CID 137654340
N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide
CID 3213295
1-[2-(3-Cyano-6-ethoxy-quinolin-2-ylamino)-ethyl]-3-m-tolyl-urea
CID 646981
4-(6-Methoxy-4-methylquinolin-2-yl)morpholine
CID 771622
N-[2-(4-Amino-piperidin-1-yl)-4-methyl-quinolin-6-yl]-2-(4-trifluoromethoxy-phenoxy)-acetamide
CID 10027853

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-morpholin-4-ylethoxy)-2-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?
The IUPAC name of 1-[4-(2-morpholin-4-ylethoxy)-2-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea (CID 70886964) is 1-[4-(2-morpholin-4-ylethoxy)-2-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea.
What is the SMILES notation for 1-[4-(2-morpholin-4-ylethoxy)-2-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?
The canonical SMILES for 1-[4-(2-morpholin-4-ylethoxy)-2-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea is O=C(NCCc1ccc2c(n1)NCCC2)Nc1ccc(OCCN2CCOCC2)cc1C(F)(F)F.
What is the InChIKey of 1-[4-(2-morpholin-4-ylethoxy)-2-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?
The InChIKey is RWAZTGUILLWHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N5O3/c25-24(26,27)20-16-19(35-15-12-32-10-13-34-14-11-32)5-6-21(20)31-23(33)29-9-7-18-4-3-17-2-1-8-28-22(17)30-18/h3-6,16H,1-2,7-15H2,(H,28,30)(H2,29,31,33).
What are the key properties of 1-[4-(2-morpholin-4-ylethoxy)-2-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?
1-[4-(2-morpholin-4-ylethoxy)-2-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea has a molecular weight of 493.53 g/mol, XLogP of 3.53, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-morpholin-4-ylethoxy)-2-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea is sourced from PubChem (CID 70886964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).