4-[5-(4-naphthalen-2-yl-2-propan-2-ylquinolin-7-yl)naphthalen-2-yl]-2-propan-2-ylquinazoline

C43H35N3 — CID 134517109

IUPAC4-[5-(4-naphthalen-2-yl-2-propan-2-ylquinolin-7-yl)naphthalen-2-yl]-2-propan-2-ylquinazoline
SMILESCC(C)c1cc(-c2ccc3ccccc3c2)c2ccc(-c3cccc4cc(-c5nc(C(C)C)nc6ccccc56)ccc34)cc2n1
InChIInChI=1S/C43H35N3/c1-26(2)40-25-38(31-17-16-28-10-5-6-11-29(28)22-31)36-21-18-32(24-41(36)44-40)34-14-9-12-30-23-33(19-20-35(30)34)42-37-13-7-8-15-39(37)45-43(46-42)27(3)4/h5-27H,1-4H3
InChIKeyJNJSMTWREONWLP-UHFFFAOYSA-N
MW593.77 g/mol
LogP11.73
Rot. Bonds5

About 4-[5-(4-naphthalen-2-yl-2-propan-2-ylquinolin-7-yl)naphthalen-2-yl]-2-propan-2-ylquinazoline

4-[5-(4-naphthalen-2-yl-2-propan-2-ylquinolin-7-yl)naphthalen-2-yl]-2-propan-2-ylquinazoline (PubChem CID 134517109) has the molecular formula C43H35N3 and a molecular weight of 593.77 g/mol. Its IUPAC name is 4-[5-(4-naphthalen-2-yl-2-propan-2-ylquinolin-7-yl)naphthalen-2-yl]-2-propan-2-ylquinazoline.

Molecular Properties

Compound Name4-[5-(4-naphthalen-2-yl-2-propan-2-ylquinolin-7-yl)naphthalen-2-yl]-2-propan-2-ylquinazoline
PubChem CID134517109
Molecular FormulaC43H35N3
Molecular Weight593.77 g/mol
Exact Mass593.28
IUPAC Name4-[5-(4-naphthalen-2-yl-2-propan-2-ylquinolin-7-yl)naphthalen-2-yl]-2-propan-2-ylquinazoline
SMILESCC(C)c1cc(-c2ccc3ccccc3c2)c2ccc(-c3cccc4cc(-c5nc(C(C)C)nc6ccccc56)ccc34)cc2n1
InChIInChI=1S/C43H35N3/c1-26(2)40-25-38(31-17-16-28-10-5-6-11-29(28)22-31)36-21-18-32(24-41(36)44-40)34-14-9-12-30-23-33(19-20-35(30)34)42-37-13-7-8-15-39(37)45-43(46-42)27(3)4/h5-27H,1-4H3
InChIKeyJNJSMTWREONWLP-UHFFFAOYSA-N
XLogP11.73
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.77
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-naphthalen-2-yl-2-propan-2-ylquinolin-7-yl)naphthalen-2-yl]-2-propan-2-ylquinazoline?
The IUPAC name of 4-[5-(4-naphthalen-2-yl-2-propan-2-ylquinolin-7-yl)naphthalen-2-yl]-2-propan-2-ylquinazoline (CID 134517109) is 4-[5-(4-naphthalen-2-yl-2-propan-2-ylquinolin-7-yl)naphthalen-2-yl]-2-propan-2-ylquinazoline.
What is the SMILES notation for 4-[5-(4-naphthalen-2-yl-2-propan-2-ylquinolin-7-yl)naphthalen-2-yl]-2-propan-2-ylquinazoline?
The canonical SMILES for 4-[5-(4-naphthalen-2-yl-2-propan-2-ylquinolin-7-yl)naphthalen-2-yl]-2-propan-2-ylquinazoline is CC(C)c1cc(-c2ccc3ccccc3c2)c2ccc(-c3cccc4cc(-c5nc(C(C)C)nc6ccccc56)ccc34)cc2n1.
What is the InChIKey of 4-[5-(4-naphthalen-2-yl-2-propan-2-ylquinolin-7-yl)naphthalen-2-yl]-2-propan-2-ylquinazoline?
The InChIKey is JNJSMTWREONWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35N3/c1-26(2)40-25-38(31-17-16-28-10-5-6-11-29(28)22-31)36-21-18-32(24-41(36)44-40)34-14-9-12-30-23-33(19-20-35(30)34)42-37-13-7-8-15-39(37)45-43(46-42)27(3)4/h5-27H,1-4H3.
What are the key properties of 4-[5-(4-naphthalen-2-yl-2-propan-2-ylquinolin-7-yl)naphthalen-2-yl]-2-propan-2-ylquinazoline?
4-[5-(4-naphthalen-2-yl-2-propan-2-ylquinolin-7-yl)naphthalen-2-yl]-2-propan-2-ylquinazoline has a molecular weight of 593.77 g/mol, XLogP of 11.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-naphthalen-2-yl-2-propan-2-ylquinolin-7-yl)naphthalen-2-yl]-2-propan-2-ylquinazoline is sourced from PubChem (CID 134517109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).