3-amino-6-benzyl-N-quinolin-8-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide

C27H23N5OS — CID 155927491

IUPAC3-amino-6-benzyl-N-quinolin-8-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2cccc3cccnc23)sc2nc3c(cc12)CN(Cc1ccccc1)CC3
InChIInChI=1S/C27H23N5OS/c28-23-20-14-19-16-32(15-17-6-2-1-3-7-17)13-11-21(19)31-27(20)34-25(23)26(33)30-22-10-4-8-18-9-5-12-29-24(18)22/h1-10,12,14H,11,13,15-16,28H2,(H,30,33)
InChIKeyPEZSXTKIDDHFQQ-UHFFFAOYSA-N
MW465.58 g/mol
LogP5.24
Rot. Bonds4

About 3-amino-6-benzyl-N-quinolin-8-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide

3-amino-6-benzyl-N-quinolin-8-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (PubChem CID 155927491) has the molecular formula C27H23N5OS and a molecular weight of 465.58 g/mol. Its IUPAC name is 3-amino-6-benzyl-N-quinolin-8-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-benzyl-N-quinolin-8-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
PubChem CID155927491
Molecular FormulaC27H23N5OS
Molecular Weight465.58 g/mol
Exact Mass465.16
IUPAC Name3-amino-6-benzyl-N-quinolin-8-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2cccc3cccnc23)sc2nc3c(cc12)CN(Cc1ccccc1)CC3
InChIInChI=1S/C27H23N5OS/c28-23-20-14-19-16-32(15-17-6-2-1-3-7-17)13-11-21(19)31-27(20)34-25(23)26(33)30-22-10-4-8-18-9-5-12-29-24(18)22/h1-10,12,14H,11,13,15-16,28H2,(H,30,33)
InChIKeyPEZSXTKIDDHFQQ-UHFFFAOYSA-N
XLogP5.24
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.58
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-benzyl-N-quinolin-8-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The IUPAC name of 3-amino-6-benzyl-N-quinolin-8-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (CID 155927491) is 3-amino-6-benzyl-N-quinolin-8-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-benzyl-N-quinolin-8-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-benzyl-N-quinolin-8-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is Nc1c(C(=O)Nc2cccc3cccnc23)sc2nc3c(cc12)CN(Cc1ccccc1)CC3.
What is the InChIKey of 3-amino-6-benzyl-N-quinolin-8-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The InChIKey is PEZSXTKIDDHFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5OS/c28-23-20-14-19-16-32(15-17-6-2-1-3-7-17)13-11-21(19)31-27(20)34-25(23)26(33)30-22-10-4-8-18-9-5-12-29-24(18)22/h1-10,12,14H,11,13,15-16,28H2,(H,30,33).
What are the key properties of 3-amino-6-benzyl-N-quinolin-8-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
3-amino-6-benzyl-N-quinolin-8-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide has a molecular weight of 465.58 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-benzyl-N-quinolin-8-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is sourced from PubChem (CID 155927491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).