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

C23H30FN5O3 — CID 70886971

IUPAC1-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
SMILESO=C(NCCc1ccc2c(n1)NCCC2)Nc1ccc(OCCN2CCOCC2)c(F)c1
InChIInChI=1S/C23H30FN5O3/c24-20-16-19(5-6-21(20)32-15-12-29-10-13-31-14-11-29)28-23(30)26-9-7-18-4-3-17-2-1-8-25-22(17)27-18/h3-6,16H,1-2,7-15H2,(H,25,27)(H2,26,28,30)
InChIKeyUTVXHKTZKWYPSZ-UHFFFAOYSA-N
MW443.52 g/mol
LogP2.65
Rot. Bonds8

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

1-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea (PubChem CID 70886971) has the molecular formula C23H30FN5O3 and a molecular weight of 443.52 g/mol. Its IUPAC name is 1-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
PubChem CID70886971
Molecular FormulaC23H30FN5O3
Molecular Weight443.52 g/mol
Exact Mass443.23
IUPAC Name1-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
SMILESO=C(NCCc1ccc2c(n1)NCCC2)Nc1ccc(OCCN2CCOCC2)c(F)c1
InChIInChI=1S/C23H30FN5O3/c24-20-16-19(5-6-21(20)32-15-12-29-10-13-31-14-11-29)28-23(30)26-9-7-18-4-3-17-2-1-8-25-22(17)27-18/h3-6,16H,1-2,7-15H2,(H,25,27)(H2,26,28,30)
InChIKeyUTVXHKTZKWYPSZ-UHFFFAOYSA-N
XLogP2.65
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?
The IUPAC name of 1-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea (CID 70886971) is 1-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea.
What is the SMILES notation for 1-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?
The canonical SMILES for 1-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea is O=C(NCCc1ccc2c(n1)NCCC2)Nc1ccc(OCCN2CCOCC2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?
The InChIKey is UTVXHKTZKWYPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5O3/c24-20-16-19(5-6-21(20)32-15-12-29-10-13-31-14-11-29)28-23(30)26-9-7-18-4-3-17-2-1-8-25-22(17)27-18/h3-6,16H,1-2,7-15H2,(H,25,27)(H2,26,28,30).
What are the key properties of 1-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?
1-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea has a molecular weight of 443.52 g/mol, XLogP of 2.65, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea is sourced from PubChem (CID 70886971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).