(3S)-3-amino-6-(6-fluoro-1H-indol-3-yl)-4-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one

C17H15FN4O — CID 130410377

IUPAC(3S)-3-amino-6-(6-fluoro-1H-indol-3-yl)-4-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCC1c2cc(-c3c[nH]c4cc(F)ccc34)cnc2NC(=O)[C@H]1N
InChIInChI=1S/C17H15FN4O/c1-8-12-4-9(6-21-16(12)22-17(23)15(8)19)13-7-20-14-5-10(18)2-3-11(13)14/h2-8,15,20H,19H2,1H3,(H,21,22,23)/t8?,15-/m0/s1
InChIKeyIACWCZBRVRGJSK-UOTNVTSPSA-N
MW310.33 g/mol
LogP2.75
Rot. Bonds1

About (3S)-3-amino-6-(6-fluoro-1H-indol-3-yl)-4-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one

(3S)-3-amino-6-(6-fluoro-1H-indol-3-yl)-4-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 130410377) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is (3S)-3-amino-6-(6-fluoro-1H-indol-3-yl)-4-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-6-(6-fluoro-1H-indol-3-yl)-4-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID130410377
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name(3S)-3-amino-6-(6-fluoro-1H-indol-3-yl)-4-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCC1c2cc(-c3c[nH]c4cc(F)ccc34)cnc2NC(=O)[C@H]1N
InChIInChI=1S/C17H15FN4O/c1-8-12-4-9(6-21-16(12)22-17(23)15(8)19)13-7-20-14-5-10(18)2-3-11(13)14/h2-8,15,20H,19H2,1H3,(H,21,22,23)/t8?,15-/m0/s1
InChIKeyIACWCZBRVRGJSK-UOTNVTSPSA-N
XLogP2.75
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-6-(6-fluoro-1H-indol-3-yl)-4-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of (3S)-3-amino-6-(6-fluoro-1H-indol-3-yl)-4-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 130410377) is (3S)-3-amino-6-(6-fluoro-1H-indol-3-yl)-4-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for (3S)-3-amino-6-(6-fluoro-1H-indol-3-yl)-4-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for (3S)-3-amino-6-(6-fluoro-1H-indol-3-yl)-4-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one is CC1c2cc(-c3c[nH]c4cc(F)ccc34)cnc2NC(=O)[C@H]1N.
What is the InChIKey of (3S)-3-amino-6-(6-fluoro-1H-indol-3-yl)-4-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is IACWCZBRVRGJSK-UOTNVTSPSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-8-12-4-9(6-21-16(12)22-17(23)15(8)19)13-7-20-14-5-10(18)2-3-11(13)14/h2-8,15,20H,19H2,1H3,(H,21,22,23)/t8?,15-/m0/s1.
What are the key properties of (3S)-3-amino-6-(6-fluoro-1H-indol-3-yl)-4-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one?
(3S)-3-amino-6-(6-fluoro-1H-indol-3-yl)-4-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 310.33 g/mol, XLogP of 2.75, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-6-(6-fluoro-1H-indol-3-yl)-4-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 130410377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).