2,4-dinaphthalen-1-ylquinazoline

C28H18N2 — CID 139229549

IUPAC2,4-dinaphthalen-1-ylquinazoline
SMILESc1ccc2c(-c3nc(-c4cccc5ccccc45)c4ccccc4n3)cccc2c1
InChIInChI=1S/C28H18N2/c1-3-13-21-19(9-1)11-7-16-23(21)27-25-15-5-6-18-26(25)29-28(30-27)24-17-8-12-20-10-2-4-14-22(20)24/h1-18H
InChIKeyJHQIURMOSFPWMQ-UHFFFAOYSA-N
MW382.47 g/mol
LogP7.27
Rot. Bonds2

About 2,4-dinaphthalen-1-ylquinazoline

2,4-dinaphthalen-1-ylquinazoline (PubChem CID 139229549) has the molecular formula C28H18N2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2,4-dinaphthalen-1-ylquinazoline.

Molecular Properties

Compound Name2,4-dinaphthalen-1-ylquinazoline
PubChem CID139229549
Molecular FormulaC28H18N2
Molecular Weight382.47 g/mol
Exact Mass382.15
IUPAC Name2,4-dinaphthalen-1-ylquinazoline
SMILESc1ccc2c(-c3nc(-c4cccc5ccccc45)c4ccccc4n3)cccc2c1
InChIInChI=1S/C28H18N2/c1-3-13-21-19(9-1)11-7-16-23(21)27-25-15-5-6-18-26(25)29-28(30-27)24-17-8-12-20-10-2-4-14-22(20)24/h1-18H
InChIKeyJHQIURMOSFPWMQ-UHFFFAOYSA-N
XLogP7.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dinaphthalen-1-ylquinazoline?
The IUPAC name of 2,4-dinaphthalen-1-ylquinazoline (CID 139229549) is 2,4-dinaphthalen-1-ylquinazoline.
What is the SMILES notation for 2,4-dinaphthalen-1-ylquinazoline?
The canonical SMILES for 2,4-dinaphthalen-1-ylquinazoline is c1ccc2c(-c3nc(-c4cccc5ccccc45)c4ccccc4n3)cccc2c1.
What is the InChIKey of 2,4-dinaphthalen-1-ylquinazoline?
The InChIKey is JHQIURMOSFPWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2/c1-3-13-21-19(9-1)11-7-16-23(21)27-25-15-5-6-18-26(25)29-28(30-27)24-17-8-12-20-10-2-4-14-22(20)24/h1-18H.
What are the key properties of 2,4-dinaphthalen-1-ylquinazoline?
2,4-dinaphthalen-1-ylquinazoline has a molecular weight of 382.47 g/mol, XLogP of 7.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinaphthalen-1-ylquinazoline is sourced from PubChem (CID 139229549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).