8-amino-4-(6-fluoroquinolin-3-yl)-13-[1-(2-hydroxyacetyl)piperidin-4-yl]-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-12-one

C25H24FN7O3 — CID 56953140

IUPAC8-amino-4-(6-fluoroquinolin-3-yl)-13-[1-(2-hydroxyacetyl)piperidin-4-yl]-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-12-one
SMILESNc1c2c(nc3c(-c4cnc5ccc(F)cc5c4)cnn13)N(C1CCN(C(=O)CO)CC1)C(=O)CC2
InChIInChI=1S/C25H24FN7O3/c26-16-1-3-20-14(10-16)9-15(11-28-20)19-12-29-33-23(27)18-2-4-21(35)32(24(18)30-25(19)33)17-5-7-31(8-6-17)22(36)13-34/h1,3,9-12,17,34H,2,4-8,13,27H2
InChIKeyNUJXPTYZYPDKKN-UHFFFAOYSA-N
MW489.51 g/mol
LogP1.93
Rot. Bonds3

About 8-amino-4-(6-fluoroquinolin-3-yl)-13-[1-(2-hydroxyacetyl)piperidin-4-yl]-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-12-one

8-amino-4-(6-fluoroquinolin-3-yl)-13-[1-(2-hydroxyacetyl)piperidin-4-yl]-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-12-one (PubChem CID 56953140) has the molecular formula C25H24FN7O3 and a molecular weight of 489.51 g/mol. Its IUPAC name is 8-amino-4-(6-fluoroquinolin-3-yl)-13-[1-(2-hydroxyacetyl)piperidin-4-yl]-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-12-one.

Molecular Properties

Compound Name8-amino-4-(6-fluoroquinolin-3-yl)-13-[1-(2-hydroxyacetyl)piperidin-4-yl]-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-12-one
PubChem CID56953140
Molecular FormulaC25H24FN7O3
Molecular Weight489.51 g/mol
Exact Mass489.19
IUPAC Name8-amino-4-(6-fluoroquinolin-3-yl)-13-[1-(2-hydroxyacetyl)piperidin-4-yl]-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-12-one
SMILESNc1c2c(nc3c(-c4cnc5ccc(F)cc5c4)cnn13)N(C1CCN(C(=O)CO)CC1)C(=O)CC2
InChIInChI=1S/C25H24FN7O3/c26-16-1-3-20-14(10-16)9-15(11-28-20)19-12-29-33-23(27)18-2-4-21(35)32(24(18)30-25(19)33)17-5-7-31(8-6-17)22(36)13-34/h1,3,9-12,17,34H,2,4-8,13,27H2
InChIKeyNUJXPTYZYPDKKN-UHFFFAOYSA-N
XLogP1.93
TPSA129.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.51
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-amino-4-(6-fluoroquinolin-3-yl)-13-[1-(2-hydroxyacetyl)piperidin-4-yl]-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-12-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-amino-4-(6-fluoroquinolin-3-yl)-13-[1-(2-hydroxyacetyl)piperidin-4-yl]-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-12-one?
The IUPAC name of 8-amino-4-(6-fluoroquinolin-3-yl)-13-[1-(2-hydroxyacetyl)piperidin-4-yl]-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-12-one (CID 56953140) is 8-amino-4-(6-fluoroquinolin-3-yl)-13-[1-(2-hydroxyacetyl)piperidin-4-yl]-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-12-one.
What is the SMILES notation for 8-amino-4-(6-fluoroquinolin-3-yl)-13-[1-(2-hydroxyacetyl)piperidin-4-yl]-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-12-one?
The canonical SMILES for 8-amino-4-(6-fluoroquinolin-3-yl)-13-[1-(2-hydroxyacetyl)piperidin-4-yl]-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-12-one is Nc1c2c(nc3c(-c4cnc5ccc(F)cc5c4)cnn13)N(C1CCN(C(=O)CO)CC1)C(=O)CC2.
What is the InChIKey of 8-amino-4-(6-fluoroquinolin-3-yl)-13-[1-(2-hydroxyacetyl)piperidin-4-yl]-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-12-one?
The InChIKey is NUJXPTYZYPDKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O3/c26-16-1-3-20-14(10-16)9-15(11-28-20)19-12-29-33-23(27)18-2-4-21(35)32(24(18)30-25(19)33)17-5-7-31(8-6-17)22(36)13-34/h1,3,9-12,17,34H,2,4-8,13,27H2.
What are the key properties of 8-amino-4-(6-fluoroquinolin-3-yl)-13-[1-(2-hydroxyacetyl)piperidin-4-yl]-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-12-one?
8-amino-4-(6-fluoroquinolin-3-yl)-13-[1-(2-hydroxyacetyl)piperidin-4-yl]-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-12-one has a molecular weight of 489.51 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-4-(6-fluoroquinolin-3-yl)-13-[1-(2-hydroxyacetyl)piperidin-4-yl]-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-12-one is sourced from PubChem (CID 56953140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).