4-[4-[(2R)-2,3-dihydroxypropyl]anilino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one

C23H23N3O3 — CID 53494802

IUPAC4-[4-[(2R)-2,3-dihydroxypropyl]anilino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESO=C1NCCc2nc(-c3ccccc3)cc(Nc3ccc(C[C@@H](O)CO)cc3)c21
InChIInChI=1S/C23H23N3O3/c27-14-18(28)12-15-6-8-17(9-7-15)25-21-13-20(16-4-2-1-3-5-16)26-19-10-11-24-23(29)22(19)21/h1-9,13,18,27-28H,10-12,14H2,(H,24,29)(H,25,26)/t18-/m1/s1
InChIKeyIOYVHHKDDAPMNR-GOSISDBHSA-N
MW389.46 g/mol
LogP2.67
Rot. Bonds6

About 4-[4-[(2R)-2,3-dihydroxypropyl]anilino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one

4-[4-[(2R)-2,3-dihydroxypropyl]anilino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one (PubChem CID 53494802) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-[4-[(2R)-2,3-dihydroxypropyl]anilino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name4-[4-[(2R)-2,3-dihydroxypropyl]anilino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
PubChem CID53494802
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name4-[4-[(2R)-2,3-dihydroxypropyl]anilino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESO=C1NCCc2nc(-c3ccccc3)cc(Nc3ccc(C[C@@H](O)CO)cc3)c21
InChIInChI=1S/C23H23N3O3/c27-14-18(28)12-15-6-8-17(9-7-15)25-21-13-20(16-4-2-1-3-5-16)26-19-10-11-24-23(29)22(19)21/h1-9,13,18,27-28H,10-12,14H2,(H,24,29)(H,25,26)/t18-/m1/s1
InChIKeyIOYVHHKDDAPMNR-GOSISDBHSA-N
XLogP2.67
TPSA94.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2R)-2,3-dihydroxypropyl]anilino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The IUPAC name of 4-[4-[(2R)-2,3-dihydroxypropyl]anilino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one (CID 53494802) is 4-[4-[(2R)-2,3-dihydroxypropyl]anilino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 4-[4-[(2R)-2,3-dihydroxypropyl]anilino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 4-[4-[(2R)-2,3-dihydroxypropyl]anilino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one is O=C1NCCc2nc(-c3ccccc3)cc(Nc3ccc(C[C@@H](O)CO)cc3)c21.
What is the InChIKey of 4-[4-[(2R)-2,3-dihydroxypropyl]anilino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The InChIKey is IOYVHHKDDAPMNR-GOSISDBHSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-14-18(28)12-15-6-8-17(9-7-15)25-21-13-20(16-4-2-1-3-5-16)26-19-10-11-24-23(29)22(19)21/h1-9,13,18,27-28H,10-12,14H2,(H,24,29)(H,25,26)/t18-/m1/s1.
What are the key properties of 4-[4-[(2R)-2,3-dihydroxypropyl]anilino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
4-[4-[(2R)-2,3-dihydroxypropyl]anilino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one has a molecular weight of 389.46 g/mol, XLogP of 2.67, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2R)-2,3-dihydroxypropyl]anilino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 53494802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).