(1-amino-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridin-2-yl)-phenylmethanone

C22H24N4O2S — CID 39047303

IUPAC(1-amino-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridin-2-yl)-phenylmethanone
SMILESCN1CCc2c(c(N3CCOCC3)nc3sc(C(=O)c4ccccc4)c(N)c23)C1
InChIInChI=1S/C22H24N4O2S/c1-25-8-7-15-16(13-25)21(26-9-11-28-12-10-26)24-22-17(15)18(23)20(29-22)19(27)14-5-3-2-4-6-14/h2-6H,7-13,23H2,1H3
InChIKeyFQVPMMRVHILMLC-UHFFFAOYSA-N
MW408.53 g/mol
LogP2.93
Rot. Bonds3

About (1-amino-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridin-2-yl)-phenylmethanone

(1-amino-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridin-2-yl)-phenylmethanone (PubChem CID 39047303) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is (1-amino-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-amino-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridin-2-yl)-phenylmethanone
PubChem CID39047303
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name(1-amino-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridin-2-yl)-phenylmethanone
SMILESCN1CCc2c(c(N3CCOCC3)nc3sc(C(=O)c4ccccc4)c(N)c23)C1
InChIInChI=1S/C22H24N4O2S/c1-25-8-7-15-16(13-25)21(26-9-11-28-12-10-26)24-22-17(15)18(23)20(29-22)19(27)14-5-3-2-4-6-14/h2-6H,7-13,23H2,1H3
InChIKeyFQVPMMRVHILMLC-UHFFFAOYSA-N
XLogP2.93
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-amino-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridin-2-yl)-phenylmethanone?
The IUPAC name of (1-amino-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridin-2-yl)-phenylmethanone (CID 39047303) is (1-amino-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridin-2-yl)-phenylmethanone.
What is the SMILES notation for (1-amino-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridin-2-yl)-phenylmethanone?
The canonical SMILES for (1-amino-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridin-2-yl)-phenylmethanone is CN1CCc2c(c(N3CCOCC3)nc3sc(C(=O)c4ccccc4)c(N)c23)C1.
What is the InChIKey of (1-amino-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridin-2-yl)-phenylmethanone?
The InChIKey is FQVPMMRVHILMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-25-8-7-15-16(13-25)21(26-9-11-28-12-10-26)24-22-17(15)18(23)20(29-22)19(27)14-5-3-2-4-6-14/h2-6H,7-13,23H2,1H3.
What are the key properties of (1-amino-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridin-2-yl)-phenylmethanone?
(1-amino-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridin-2-yl)-phenylmethanone has a molecular weight of 408.53 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridin-2-yl)-phenylmethanone is sourced from PubChem (CID 39047303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).