2-(pyridin-3-ylmethyl)-5,6-dihydrobenzo[h]quinazoline

C18H15N3 — CID 123285383

IUPAC2-(pyridin-3-ylmethyl)-5,6-dihydrobenzo[h]quinazoline
SMILESc1cncc(Cc2ncc3c(n2)-c2ccccc2CC3)c1
InChIInChI=1S/C18H15N3/c1-2-6-16-14(5-1)7-8-15-12-20-17(21-18(15)16)10-13-4-3-9-19-11-13/h1-6,9,11-12H,7-8,10H2
InChIKeyMRWQNOPDDBYPQK-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.23
Rot. Bonds2

About 2-(pyridin-3-ylmethyl)-5,6-dihydrobenzo[h]quinazoline

2-(pyridin-3-ylmethyl)-5,6-dihydrobenzo[h]quinazoline (PubChem CID 123285383) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethyl)-5,6-dihydrobenzo[h]quinazoline.

Molecular Properties

Compound Name2-(pyridin-3-ylmethyl)-5,6-dihydrobenzo[h]quinazoline
PubChem CID123285383
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name2-(pyridin-3-ylmethyl)-5,6-dihydrobenzo[h]quinazoline
SMILESc1cncc(Cc2ncc3c(n2)-c2ccccc2CC3)c1
InChIInChI=1S/C18H15N3/c1-2-6-16-14(5-1)7-8-15-12-20-17(21-18(15)16)10-13-4-3-9-19-11-13/h1-6,9,11-12H,7-8,10H2
InChIKeyMRWQNOPDDBYPQK-UHFFFAOYSA-N
XLogP3.23
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethyl)-5,6-dihydrobenzo[h]quinazoline?
The IUPAC name of 2-(pyridin-3-ylmethyl)-5,6-dihydrobenzo[h]quinazoline (CID 123285383) is 2-(pyridin-3-ylmethyl)-5,6-dihydrobenzo[h]quinazoline.
What is the SMILES notation for 2-(pyridin-3-ylmethyl)-5,6-dihydrobenzo[h]quinazoline?
The canonical SMILES for 2-(pyridin-3-ylmethyl)-5,6-dihydrobenzo[h]quinazoline is c1cncc(Cc2ncc3c(n2)-c2ccccc2CC3)c1.
What is the InChIKey of 2-(pyridin-3-ylmethyl)-5,6-dihydrobenzo[h]quinazoline?
The InChIKey is MRWQNOPDDBYPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c1-2-6-16-14(5-1)7-8-15-12-20-17(21-18(15)16)10-13-4-3-9-19-11-13/h1-6,9,11-12H,7-8,10H2.
What are the key properties of 2-(pyridin-3-ylmethyl)-5,6-dihydrobenzo[h]quinazoline?
2-(pyridin-3-ylmethyl)-5,6-dihydrobenzo[h]quinazoline has a molecular weight of 273.34 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethyl)-5,6-dihydrobenzo[h]quinazoline is sourced from PubChem (CID 123285383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).