7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C18H17N3 — CID 155676329

IUPAC7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCc1cccc2cccc(N3CCc4cncnc4C3)c12
InChIInChI=1S/C18H17N3/c1-13-4-2-5-14-6-3-7-17(18(13)14)21-9-8-15-10-19-12-20-16(15)11-21/h2-7,10,12H,8-9,11H2,1H3
InChIKeyCTJQZSVIJCZHPA-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.50
Rot. Bonds1

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

7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 155676329) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID155676329
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCc1cccc2cccc(N3CCc4cncnc4C3)c12
InChIInChI=1S/C18H17N3/c1-13-4-2-5-14-6-3-7-17(18(13)14)21-9-8-15-10-19-12-20-16(15)11-21/h2-7,10,12H,8-9,11H2,1H3
InChIKeyCTJQZSVIJCZHPA-UHFFFAOYSA-N
XLogP3.50
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 155676329) is 7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is Cc1cccc2cccc(N3CCc4cncnc4C3)c12.
What is the InChIKey of 7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is CTJQZSVIJCZHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-13-4-2-5-14-6-3-7-17(18(13)14)21-9-8-15-10-19-12-20-16(15)11-21/h2-7,10,12H,8-9,11H2,1H3.
What are the key properties of 7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 275.36 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 155676329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).