1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-(oxolan-2-ylmethyl)urea

C19H23FN4O3 — CID 53010776

IUPAC1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-(oxolan-2-ylmethyl)urea
SMILESO=C(NCC1CCCO1)Nc1cc(F)c2nc(N3CCOCC3)ccc2c1
InChIInChI=1S/C19H23FN4O3/c20-16-11-14(22-19(25)21-12-15-2-1-7-27-15)10-13-3-4-17(23-18(13)16)24-5-8-26-9-6-24/h3-4,10-11,15H,1-2,5-9,12H2,(H2,21,22,25)
InChIKeyPAMMDHQNRXXXQD-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.51
Rot. Bonds4

About 1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-(oxolan-2-ylmethyl)urea

1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-(oxolan-2-ylmethyl)urea (PubChem CID 53010776) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-(oxolan-2-ylmethyl)urea
PubChem CID53010776
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-(oxolan-2-ylmethyl)urea
SMILESO=C(NCC1CCCO1)Nc1cc(F)c2nc(N3CCOCC3)ccc2c1
InChIInChI=1S/C19H23FN4O3/c20-16-11-14(22-19(25)21-12-15-2-1-7-27-15)10-13-3-4-17(23-18(13)16)24-5-8-26-9-6-24/h3-4,10-11,15H,1-2,5-9,12H2,(H2,21,22,25)
InChIKeyPAMMDHQNRXXXQD-UHFFFAOYSA-N
XLogP2.51
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-(oxolan-2-ylmethyl)urea (CID 53010776) is 1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-(oxolan-2-ylmethyl)urea is O=C(NCC1CCCO1)Nc1cc(F)c2nc(N3CCOCC3)ccc2c1.
What is the InChIKey of 1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-(oxolan-2-ylmethyl)urea?
The InChIKey is PAMMDHQNRXXXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c20-16-11-14(22-19(25)21-12-15-2-1-7-27-15)10-13-3-4-17(23-18(13)16)24-5-8-26-9-6-24/h3-4,10-11,15H,1-2,5-9,12H2,(H2,21,22,25).
What are the key properties of 1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-(oxolan-2-ylmethyl)urea?
1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-(oxolan-2-ylmethyl)urea has a molecular weight of 374.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 53010776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).