(1R)-8-fluoro-1-(3-hydroxypropylamino)-2,3,4,5-tetrahydro-1H-phenanthridin-6-one

C16H19FN2O2 — CID 175773534

IUPAC(1R)-8-fluoro-1-(3-hydroxypropylamino)-2,3,4,5-tetrahydro-1H-phenanthridin-6-one
SMILESO=c1[nH]c2c(c3ccc(F)cc13)[C@H](NCCCO)CCC2
InChIInChI=1S/C16H19FN2O2/c17-10-5-6-11-12(9-10)16(21)19-14-4-1-3-13(15(11)14)18-7-2-8-20/h5-6,9,13,18,20H,1-4,7-8H2,(H,19,21)/t13-/m1/s1
InChIKeyHTMJSJBEHKUECV-CYBMUJFWSA-N
MW290.34 g/mol
LogP2.02
Rot. Bonds4

About (1R)-8-fluoro-1-(3-hydroxypropylamino)-2,3,4,5-tetrahydro-1H-phenanthridin-6-one

(1R)-8-fluoro-1-(3-hydroxypropylamino)-2,3,4,5-tetrahydro-1H-phenanthridin-6-one (PubChem CID 175773534) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is (1R)-8-fluoro-1-(3-hydroxypropylamino)-2,3,4,5-tetrahydro-1H-phenanthridin-6-one.

Molecular Properties

Compound Name(1R)-8-fluoro-1-(3-hydroxypropylamino)-2,3,4,5-tetrahydro-1H-phenanthridin-6-one
PubChem CID175773534
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name(1R)-8-fluoro-1-(3-hydroxypropylamino)-2,3,4,5-tetrahydro-1H-phenanthridin-6-one
SMILESO=c1[nH]c2c(c3ccc(F)cc13)[C@H](NCCCO)CCC2
InChIInChI=1S/C16H19FN2O2/c17-10-5-6-11-12(9-10)16(21)19-14-4-1-3-13(15(11)14)18-7-2-8-20/h5-6,9,13,18,20H,1-4,7-8H2,(H,19,21)/t13-/m1/s1
InChIKeyHTMJSJBEHKUECV-CYBMUJFWSA-N
XLogP2.02
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-8-fluoro-1-(3-hydroxypropylamino)-2,3,4,5-tetrahydro-1H-phenanthridin-6-one?
The IUPAC name of (1R)-8-fluoro-1-(3-hydroxypropylamino)-2,3,4,5-tetrahydro-1H-phenanthridin-6-one (CID 175773534) is (1R)-8-fluoro-1-(3-hydroxypropylamino)-2,3,4,5-tetrahydro-1H-phenanthridin-6-one.
What is the SMILES notation for (1R)-8-fluoro-1-(3-hydroxypropylamino)-2,3,4,5-tetrahydro-1H-phenanthridin-6-one?
The canonical SMILES for (1R)-8-fluoro-1-(3-hydroxypropylamino)-2,3,4,5-tetrahydro-1H-phenanthridin-6-one is O=c1[nH]c2c(c3ccc(F)cc13)[C@H](NCCCO)CCC2.
What is the InChIKey of (1R)-8-fluoro-1-(3-hydroxypropylamino)-2,3,4,5-tetrahydro-1H-phenanthridin-6-one?
The InChIKey is HTMJSJBEHKUECV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19FN2O2/c17-10-5-6-11-12(9-10)16(21)19-14-4-1-3-13(15(11)14)18-7-2-8-20/h5-6,9,13,18,20H,1-4,7-8H2,(H,19,21)/t13-/m1/s1.
What are the key properties of (1R)-8-fluoro-1-(3-hydroxypropylamino)-2,3,4,5-tetrahydro-1H-phenanthridin-6-one?
(1R)-8-fluoro-1-(3-hydroxypropylamino)-2,3,4,5-tetrahydro-1H-phenanthridin-6-one has a molecular weight of 290.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-8-fluoro-1-(3-hydroxypropylamino)-2,3,4,5-tetrahydro-1H-phenanthridin-6-one is sourced from PubChem (CID 175773534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).