5-[4-[(6-tert-butylnaphthalen-2-yl)methyl]-2-pyridinyl]-7-methylthieno[3,2-h]quinoline

C32H28N2S — CID 176757003

IUPAC5-[4-[(6-tert-butylnaphthalen-2-yl)methyl]-2-pyridinyl]-7-methylthieno[3,2-h]quinoline
SMILESCc1cnc2c(c1)c(-c1cc(Cc3ccc4cc(C(C)(C)C)ccc4c3)ccn1)cc1ccsc12
InChIInChI=1S/C32H28N2S/c1-20-13-28-27(18-25-10-12-35-31(25)30(28)34-19-20)29-16-22(9-11-33-29)14-21-5-6-24-17-26(32(2,3)4)8-7-23(24)15-21/h5-13,15-19H,14H2,1-4H3
InChIKeyMDZNNWJEGVCQBJ-UHFFFAOYSA-N
MW472.66 g/mol
LogP8.86
Rot. Bonds3

About 5-[4-[(6-tert-butylnaphthalen-2-yl)methyl]-2-pyridinyl]-7-methylthieno[3,2-h]quinoline

5-[4-[(6-tert-butylnaphthalen-2-yl)methyl]-2-pyridinyl]-7-methylthieno[3,2-h]quinoline (PubChem CID 176757003) has the molecular formula C32H28N2S and a molecular weight of 472.66 g/mol. Its IUPAC name is 5-[4-[(6-tert-butylnaphthalen-2-yl)methyl]-2-pyridinyl]-7-methylthieno[3,2-h]quinoline.

Molecular Properties

Compound Name5-[4-[(6-tert-butylnaphthalen-2-yl)methyl]-2-pyridinyl]-7-methylthieno[3,2-h]quinoline
PubChem CID176757003
Molecular FormulaC32H28N2S
Molecular Weight472.66 g/mol
Exact Mass472.20
IUPAC Name5-[4-[(6-tert-butylnaphthalen-2-yl)methyl]-2-pyridinyl]-7-methylthieno[3,2-h]quinoline
SMILESCc1cnc2c(c1)c(-c1cc(Cc3ccc4cc(C(C)(C)C)ccc4c3)ccn1)cc1ccsc12
InChIInChI=1S/C32H28N2S/c1-20-13-28-27(18-25-10-12-35-31(25)30(28)34-19-20)29-16-22(9-11-33-29)14-21-5-6-24-17-26(32(2,3)4)8-7-23(24)15-21/h5-13,15-19H,14H2,1-4H3
InChIKeyMDZNNWJEGVCQBJ-UHFFFAOYSA-N
XLogP8.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.66
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[4-[(6-tert-butylnaphthalen-2-yl)methyl]-2-pyridinyl]-7-methylthieno[3,2-h]quinoline with MolForge

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Related Compounds

7-methyl-5-pyridin-2-ylthieno[3,2-h]quinoline
CID 176757029
5-[4-[(6-tert-butylnaphthalen-2-yl)methyl]-2-pyridinyl]-7-methyl-4H-furo[3,2-h]quinolin-4-ide;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 176757130
5-[4-[(6-methylnaphthalen-2-yl)methyl]-2-pyridinyl]furo[3,2-h]quinoline
CID 176757352
2-([1]benzothiolo[7,6-b][1]benzofuran-9-yl)-4-(2,2-dimethylpropyl)pyridine
CID 168829607
4-tert-butyl-2-[2-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]thieno[3,2-g][1]benzothiol-4-yl]pyridine
CID 177293108
1-[3-[4-(4-tert-butyl-2-pyridinyl)thieno[3,2-g][1]benzothiol-2-yl]oxyphenyl]-3-phenyl-2H-benzimidazole
CID 177293339
2-([1]benzothiolo[5,6-b][1]benzofuran-8-yl)-4-(2,2-dimethylpropyl)pyridine
CID 168829416
3,8-dimethyl-1,10-phenanthroline
CID 159392628
4-[2-[4-[2-[2,6-bis(4-tert-butyl-2-pyridinyl)-4-pyridinyl]ethyl]phenyl]ethyl]-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine
CID 101142232
2-tert-butyl-7-[(3,4-difluorophenyl)methyl]naphthalene
CID 134222446
2,6-bis[(4-methylphenyl)methyl]naphthalene
CID 58774647
2-(8H-[1]benzothiolo[7,6-b][1]benzofuran-8-id-9-yl)-4-tert-butylpyridine;iridium;5-methyl-2-phenylpyridine
CID 168829787

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(6-tert-butylnaphthalen-2-yl)methyl]-2-pyridinyl]-7-methylthieno[3,2-h]quinoline?
The IUPAC name of 5-[4-[(6-tert-butylnaphthalen-2-yl)methyl]-2-pyridinyl]-7-methylthieno[3,2-h]quinoline (CID 176757003) is 5-[4-[(6-tert-butylnaphthalen-2-yl)methyl]-2-pyridinyl]-7-methylthieno[3,2-h]quinoline.
What is the SMILES notation for 5-[4-[(6-tert-butylnaphthalen-2-yl)methyl]-2-pyridinyl]-7-methylthieno[3,2-h]quinoline?
The canonical SMILES for 5-[4-[(6-tert-butylnaphthalen-2-yl)methyl]-2-pyridinyl]-7-methylthieno[3,2-h]quinoline is Cc1cnc2c(c1)c(-c1cc(Cc3ccc4cc(C(C)(C)C)ccc4c3)ccn1)cc1ccsc12.
What is the InChIKey of 5-[4-[(6-tert-butylnaphthalen-2-yl)methyl]-2-pyridinyl]-7-methylthieno[3,2-h]quinoline?
The InChIKey is MDZNNWJEGVCQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2S/c1-20-13-28-27(18-25-10-12-35-31(25)30(28)34-19-20)29-16-22(9-11-33-29)14-21-5-6-24-17-26(32(2,3)4)8-7-23(24)15-21/h5-13,15-19H,14H2,1-4H3.
What are the key properties of 5-[4-[(6-tert-butylnaphthalen-2-yl)methyl]-2-pyridinyl]-7-methylthieno[3,2-h]quinoline?
5-[4-[(6-tert-butylnaphthalen-2-yl)methyl]-2-pyridinyl]-7-methylthieno[3,2-h]quinoline has a molecular weight of 472.66 g/mol, XLogP of 8.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(6-tert-butylnaphthalen-2-yl)methyl]-2-pyridinyl]-7-methylthieno[3,2-h]quinoline is sourced from PubChem (CID 176757003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).