1-amino-N-(4-chlorophenyl)-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxamide

C22H24ClN5O2S — CID 39035691

IUPAC1-amino-N-(4-chlorophenyl)-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxamide
SMILESCN1CCc2c(c(N3CCOCC3)nc3sc(C(=O)Nc4ccc(Cl)cc4)c(N)c23)C1
InChIInChI=1S/C22H24ClN5O2S/c1-27-7-6-15-16(12-27)20(28-8-10-30-11-9-28)26-22-17(15)18(24)19(31-22)21(29)25-14-4-2-13(23)3-5-14/h2-5H,6-12,24H2,1H3,(H,25,29)
InChIKeyBTFSDPYRKGMOJB-UHFFFAOYSA-N
MW457.99 g/mol
LogP3.61
Rot. Bonds3

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

1-amino-N-(4-chlorophenyl)-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxamide (PubChem CID 39035691) has the molecular formula C22H24ClN5O2S and a molecular weight of 457.99 g/mol. Its IUPAC name is 1-amino-N-(4-chlorophenyl)-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxamide.

Molecular Properties

Compound Name1-amino-N-(4-chlorophenyl)-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxamide
PubChem CID39035691
Molecular FormulaC22H24ClN5O2S
Molecular Weight457.99 g/mol
Exact Mass457.13
IUPAC Name1-amino-N-(4-chlorophenyl)-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxamide
SMILESCN1CCc2c(c(N3CCOCC3)nc3sc(C(=O)Nc4ccc(Cl)cc4)c(N)c23)C1
InChIInChI=1S/C22H24ClN5O2S/c1-27-7-6-15-16(12-27)20(28-8-10-30-11-9-28)26-22-17(15)18(24)19(31-22)21(29)25-14-4-2-13(23)3-5-14/h2-5H,6-12,24H2,1H3,(H,25,29)
InChIKeyBTFSDPYRKGMOJB-UHFFFAOYSA-N
XLogP3.61
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.99
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(1-amino-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridin-2-yl)-phenylmethanone
CID 39047303
1-amino-5-morpholin-4-yl-N-pyridin-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 2984911
3-amino-N-(4-chlorophenyl)-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 5209201
N-(4-acetylphenyl)-3-amino-6-methyl-4-phenyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 11988193
1-amino-N-(furan-2-ylmethyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 661594
5-amino-4-(3-chloro-4-fluoroanilino)-N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 24738188
3-amino-12,12-dimethyl-8-morpholin-4-yl-N-(1,3-thiazol-2-yl)-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraene-4-carboxamide
CID 3791228
(3-amino-12,12-dimethyl-8-morpholin-4-yl-5,11-dithia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-4-yl)-phenylmethanone
CID 5152628
5-(3-amino-12,12-dimethyl-8-morpholin-4-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-4-yl)-N-phenylfuran-2-carboxamide
CID 5244454
3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 45142489
1-amino-N-(4-methoxyphenyl)-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 23475195
3-amino-N-(4-ethylphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 20866585

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-chlorophenyl)-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxamide?
The IUPAC name of 1-amino-N-(4-chlorophenyl)-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxamide (CID 39035691) is 1-amino-N-(4-chlorophenyl)-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxamide.
What is the SMILES notation for 1-amino-N-(4-chlorophenyl)-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxamide?
The canonical SMILES for 1-amino-N-(4-chlorophenyl)-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxamide is CN1CCc2c(c(N3CCOCC3)nc3sc(C(=O)Nc4ccc(Cl)cc4)c(N)c23)C1.
What is the InChIKey of 1-amino-N-(4-chlorophenyl)-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxamide?
The InChIKey is BTFSDPYRKGMOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2S/c1-27-7-6-15-16(12-27)20(28-8-10-30-11-9-28)26-22-17(15)18(24)19(31-22)21(29)25-14-4-2-13(23)3-5-14/h2-5H,6-12,24H2,1H3,(H,25,29).
What are the key properties of 1-amino-N-(4-chlorophenyl)-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxamide?
1-amino-N-(4-chlorophenyl)-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxamide has a molecular weight of 457.99 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4-chlorophenyl)-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxamide is sourced from PubChem (CID 39035691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).