7-(8-chloronaphthalen-1-yl)-4-methoxy-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C19H18ClN3OS — CID 167225322

IUPAC7-(8-chloronaphthalen-1-yl)-4-methoxy-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCOc1nc(SC)nc2c1CCN(c1cccc3cccc(Cl)c13)C2
InChIInChI=1S/C19H18ClN3OS/c1-24-18-13-9-10-23(11-15(13)21-19(22-18)25-2)16-8-4-6-12-5-3-7-14(20)17(12)16/h3-8H,9-11H2,1-2H3
InChIKeyYTWPAVLTAMWGCL-UHFFFAOYSA-N
MW371.89 g/mol
LogP4.58
Rot. Bonds3

About 7-(8-chloronaphthalen-1-yl)-4-methoxy-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

7-(8-chloronaphthalen-1-yl)-4-methoxy-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 167225322) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is 7-(8-chloronaphthalen-1-yl)-4-methoxy-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name7-(8-chloronaphthalen-1-yl)-4-methoxy-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID167225322
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC Name7-(8-chloronaphthalen-1-yl)-4-methoxy-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCOc1nc(SC)nc2c1CCN(c1cccc3cccc(Cl)c13)C2
InChIInChI=1S/C19H18ClN3OS/c1-24-18-13-9-10-23(11-15(13)21-19(22-18)25-2)16-8-4-6-12-5-3-7-14(20)17(12)16/h3-8H,9-11H2,1-2H3
InChIKeyYTWPAVLTAMWGCL-UHFFFAOYSA-N
XLogP4.58
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(8-chloronaphthalen-1-yl)-4-methoxy-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine with MolForge

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Related Compounds

7-(8-chloronaphthalen-1-yl)-2,4-dimethoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 170416265
7-(8-chloronaphthalen-1-yl)-4-methoxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 154718344
2-[(3S)-1-[7-(8-chloronaphthalen-1-yl)-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile
CID 167696365
2-[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-2-yl]acetonitrile
CID 156885522
7-(8-chloronaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 154627677
7-(8-chloronaphthalen-1-yl)-2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 178000351
7-(8-chloronaphthalen-1-yl)-4-(hydroxysulfanylmethyl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;ethane;methane;1-methylpyrrolidine
CID 164925249
7-(8-chloronaphthalen-1-yl)-4-(3-hydroxysulfanylpiperidin-1-yl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine
CID 164925325
7-(8-chloronaphthalen-1-yl)-2-methoxy-4-[(6S)-6-(methoxymethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 163223416
7-(8-chloronaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 171055653
(E)-1-[4-[7-(8-chloronaphthalen-1-yl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-4-methoxybut-2-en-1-one
CID 142595046
1-[6-(8-chloronaphthalen-1-yl)-4-cyano-3-methoxy-7,8-dihydro-5H-2,6-naphthyridin-1-yl]piperidine-4-carboxamide;1-methylpyrrolidine
CID 168918639

Frequently Asked Questions

What is the IUPAC name of 7-(8-chloronaphthalen-1-yl)-4-methoxy-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 7-(8-chloronaphthalen-1-yl)-4-methoxy-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 167225322) is 7-(8-chloronaphthalen-1-yl)-4-methoxy-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 7-(8-chloronaphthalen-1-yl)-4-methoxy-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 7-(8-chloronaphthalen-1-yl)-4-methoxy-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is COc1nc(SC)nc2c1CCN(c1cccc3cccc(Cl)c13)C2.
What is the InChIKey of 7-(8-chloronaphthalen-1-yl)-4-methoxy-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is YTWPAVLTAMWGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c1-24-18-13-9-10-23(11-15(13)21-19(22-18)25-2)16-8-4-6-12-5-3-7-14(20)17(12)16/h3-8H,9-11H2,1-2H3.
What are the key properties of 7-(8-chloronaphthalen-1-yl)-4-methoxy-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
7-(8-chloronaphthalen-1-yl)-4-methoxy-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 371.89 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8-chloronaphthalen-1-yl)-4-methoxy-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 167225322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).