1-[(5-phenylthiophen-2-yl)methyl]-1,8-naphthyridin-2-one

C19H14N2OS — CID 90980646

IUPAC1-[(5-phenylthiophen-2-yl)methyl]-1,8-naphthyridin-2-one
SMILESO=c1ccc2cccnc2n1Cc1ccc(-c2ccccc2)s1
InChIInChI=1S/C19H14N2OS/c22-18-11-8-15-7-4-12-20-19(15)21(18)13-16-9-10-17(23-16)14-5-2-1-3-6-14/h1-12H,13H2
InChIKeyUKFWOXJXHQOPBX-UHFFFAOYSA-N
MW318.40 g/mol
LogP4.17
Rot. Bonds3

About 1-[(5-phenylthiophen-2-yl)methyl]-1,8-naphthyridin-2-one

1-[(5-phenylthiophen-2-yl)methyl]-1,8-naphthyridin-2-one (PubChem CID 90980646) has the molecular formula C19H14N2OS and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-[(5-phenylthiophen-2-yl)methyl]-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-[(5-phenylthiophen-2-yl)methyl]-1,8-naphthyridin-2-one
PubChem CID90980646
Molecular FormulaC19H14N2OS
Molecular Weight318.40 g/mol
Exact Mass318.08
IUPAC Name1-[(5-phenylthiophen-2-yl)methyl]-1,8-naphthyridin-2-one
SMILESO=c1ccc2cccnc2n1Cc1ccc(-c2ccccc2)s1
InChIInChI=1S/C19H14N2OS/c22-18-11-8-15-7-4-12-20-19(15)21(18)13-16-9-10-17(23-16)14-5-2-1-3-6-14/h1-12H,13H2
InChIKeyUKFWOXJXHQOPBX-UHFFFAOYSA-N
XLogP4.17
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-1,8-naphthyridin-2-one
CID 154368261
1-(hydroxymethylamino)-1,8-naphthyridin-2-one
CID 139622666
(5-phenylthiophen-2-yl)methanamine
CID 11993875
(3-aminopyrazin-2-yl)-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]methanone
CID 39152618
1-benzyl-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one
CID 15073525
2-(3-oxo-2-phenylpyrido[2,3-b]pyrazin-4-yl)acetic acid
CID 134154466
1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide
CID 7620183
1-benzyl-3-(2-methylphenyl)-1,8-naphthyridin-2-one
CID 139602401
5-(5-chlorothiophen-2-yl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,2-oxazole
CID 141101476
6-[(5-phenylthiophen-2-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942890
2-(1-chloroethyl)-3-[(5-chlorothiophen-2-yl)methyl]imidazo[4,5-b]pyridine
CID 79294113
2-[methyl-[1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042939

Frequently Asked Questions

What is the IUPAC name of 1-[(5-phenylthiophen-2-yl)methyl]-1,8-naphthyridin-2-one?
The IUPAC name of 1-[(5-phenylthiophen-2-yl)methyl]-1,8-naphthyridin-2-one (CID 90980646) is 1-[(5-phenylthiophen-2-yl)methyl]-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-[(5-phenylthiophen-2-yl)methyl]-1,8-naphthyridin-2-one?
The canonical SMILES for 1-[(5-phenylthiophen-2-yl)methyl]-1,8-naphthyridin-2-one is O=c1ccc2cccnc2n1Cc1ccc(-c2ccccc2)s1.
What is the InChIKey of 1-[(5-phenylthiophen-2-yl)methyl]-1,8-naphthyridin-2-one?
The InChIKey is UKFWOXJXHQOPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS/c22-18-11-8-15-7-4-12-20-19(15)21(18)13-16-9-10-17(23-16)14-5-2-1-3-6-14/h1-12H,13H2.
What are the key properties of 1-[(5-phenylthiophen-2-yl)methyl]-1,8-naphthyridin-2-one?
1-[(5-phenylthiophen-2-yl)methyl]-1,8-naphthyridin-2-one has a molecular weight of 318.40 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-phenylthiophen-2-yl)methyl]-1,8-naphthyridin-2-one is sourced from PubChem (CID 90980646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).