1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]propan-1-ol

C26H24ClN3O3 — CID 159334658

IUPAC1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]propan-1-ol
SMILESCCC(O)c1ccc2c(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)ccnc2c1
InChIInChI=1S/C26H24ClN3O3/c1-2-23(31)14-3-4-18-17(5-8-29-22(18)10-14)19-12-16(27)9-15-11-24(32-25(15)19)26-20-13-28-7-6-21(20)30-33-26/h3-5,8-10,12,23-24,28,31H,2,6-7,11,13H2,1H3
InChIKeyLFJLJPWKSHGGNE-UHFFFAOYSA-N
MW461.95 g/mol
LogP5.31
Rot. Bonds4

About 1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]propan-1-ol

1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]propan-1-ol (PubChem CID 159334658) has the molecular formula C26H24ClN3O3 and a molecular weight of 461.95 g/mol. Its IUPAC name is 1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]propan-1-ol.

Molecular Properties

Compound Name1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]propan-1-ol
PubChem CID159334658
Molecular FormulaC26H24ClN3O3
Molecular Weight461.95 g/mol
Exact Mass461.15
IUPAC Name1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]propan-1-ol
SMILESCCC(O)c1ccc2c(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)ccnc2c1
InChIInChI=1S/C26H24ClN3O3/c1-2-23(31)14-3-4-18-17(5-8-29-22(18)10-14)19-12-16(27)9-15-11-24(32-25(15)19)26-20-13-28-7-6-21(20)30-33-26/h3-5,8-10,12,23-24,28,31H,2,6-7,11,13H2,1H3
InChIKeyLFJLJPWKSHGGNE-UHFFFAOYSA-N
XLogP5.31
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.95
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]propan-1-ol?
The IUPAC name of 1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]propan-1-ol (CID 159334658) is 1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]propan-1-ol.
What is the SMILES notation for 1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]propan-1-ol?
The canonical SMILES for 1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]propan-1-ol is CCC(O)c1ccc2c(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)ccnc2c1.
What is the InChIKey of 1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]propan-1-ol?
The InChIKey is LFJLJPWKSHGGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O3/c1-2-23(31)14-3-4-18-17(5-8-29-22(18)10-14)19-12-16(27)9-15-11-24(32-25(15)19)26-20-13-28-7-6-21(20)30-33-26/h3-5,8-10,12,23-24,28,31H,2,6-7,11,13H2,1H3.
What are the key properties of 1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]propan-1-ol?
1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]propan-1-ol has a molecular weight of 461.95 g/mol, XLogP of 5.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]propan-1-ol is sourced from PubChem (CID 159334658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).