3-methyl-6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-ylquinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one

C47H38N8O4S2 — CID 165037598

IUPAC3-methyl-6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-ylquinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one
SMILESCn1c(-c2cc3sccc3cn2)nc2ccc(OCCCc3ccncc3)cc2c1=O.O=c1[nH]c(-c2cc3sccc3cn2)nc2ccc(OCCCc3ccncc3)cc12
InChIInChI=1S/C24H20N4O2S.C23H18N4O2S/c1-28-23(21-14-22-17(15-26-21)8-12-31-22)27-20-5-4-18(13-19(20)24(28)29)30-11-2-3-16-6-9-25-10-7-16;28-23-18-12-17(29-10-1-2-15-5-8-24-9-6-15)3-4-19(18)26-22(27-23)20-13-21-16(14-25-20)7-11-30-21/h4-10,12-15H,2-3,11H2,1H3;3-9,11-14H,1-2,10H2,(H,26,27,28)
InChIKeyNPXXDNIHBGUDHI-UHFFFAOYSA-N
MW843.01 g/mol
LogP9.22
Rot. Bonds12

About 3-methyl-6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-ylquinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one

3-methyl-6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-ylquinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one (PubChem CID 165037598) has the molecular formula C47H38N8O4S2 and a molecular weight of 843.01 g/mol. Its IUPAC name is 3-methyl-6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-ylquinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-ylquinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one
PubChem CID165037598
Molecular FormulaC47H38N8O4S2
Molecular Weight843.01 g/mol
Exact Mass842.25
IUPAC Name3-methyl-6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-ylquinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one
SMILESCn1c(-c2cc3sccc3cn2)nc2ccc(OCCCc3ccncc3)cc2c1=O.O=c1[nH]c(-c2cc3sccc3cn2)nc2ccc(OCCCc3ccncc3)cc12
InChIInChI=1S/C24H20N4O2S.C23H18N4O2S/c1-28-23(21-14-22-17(15-26-21)8-12-31-22)27-20-5-4-18(13-19(20)24(28)29)30-11-2-3-16-6-9-25-10-7-16;28-23-18-12-17(29-10-1-2-15-5-8-24-9-6-15)3-4-19(18)26-22(27-23)20-13-21-16(14-25-20)7-11-30-21/h4-10,12-15H,2-3,11H2,1H3;3-9,11-14H,1-2,10H2,(H,26,27,28)
InChIKeyNPXXDNIHBGUDHI-UHFFFAOYSA-N
XLogP9.22
TPSA150.66 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500843.01
LogP ≤ 59.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-methyl-6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-ylquinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one with MolForge

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Related Compounds

N-[3-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]-(pyridin-3-ylmethyl)amino]propyl]-5-pyridin-2-ylthiophene-2-carboxamide
CID 58601587
N-[3-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]-(pyridin-3-ylmethyl)amino]propyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxamide
CID 58601675
8-fluoro-6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
CID 146308687
6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-3H-quinazolin-4-one;hydrochloride
CID 146308853
6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 146308854
6-[3-(3-fluoro-4-pyridinyl)propoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
CID 146308977
5-fluoro-6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
CID 146333549
[8-Cyclopropyl-4-oxo-6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-ylquinazolin-3-yl] thiohypofluorite
CID 146333566
[8-Ethyl-4-oxo-6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-ylquinazolin-3-yl] thiohypofluorite
CID 153396823
[8-Chloro-4-oxo-6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-ylquinazolin-3-yl] thiohypofluorite
CID 153396897
2-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-(thiophen-2-ylmethyl)benzamide
CID 117657515
2-[(6-methoxy-2-pyridin-3-yl-1,2-dihydroquinazolin-4-yl)amino]-N-(thiophen-2-ylmethyl)benzamide
CID 122494223

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-ylquinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one?
The IUPAC name of 3-methyl-6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-ylquinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one (CID 165037598) is 3-methyl-6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-ylquinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one.
What is the SMILES notation for 3-methyl-6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-ylquinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one?
The canonical SMILES for 3-methyl-6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-ylquinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one is Cn1c(-c2cc3sccc3cn2)nc2ccc(OCCCc3ccncc3)cc2c1=O.O=c1[nH]c(-c2cc3sccc3cn2)nc2ccc(OCCCc3ccncc3)cc12.
What is the InChIKey of 3-methyl-6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-ylquinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one?
The InChIKey is NPXXDNIHBGUDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S.C23H18N4O2S/c1-28-23(21-14-22-17(15-26-21)8-12-31-22)27-20-5-4-18(13-19(20)24(28)29)30-11-2-3-16-6-9-25-10-7-16;28-23-18-12-17(29-10-1-2-15-5-8-24-9-6-15)3-4-19(18)26-22(27-23)20-13-21-16(14-25-20)7-11-30-21/h4-10,12-15H,2-3,11H2,1H3;3-9,11-14H,1-2,10H2,(H,26,27,28).
What are the key properties of 3-methyl-6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-ylquinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one?
3-methyl-6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-ylquinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one has a molecular weight of 843.01 g/mol, XLogP of 9.22, 12 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-ylquinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one is sourced from PubChem (CID 165037598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).