4-naphthalen-2-yl-2-propan-2-ylquinazoline

C21H18N2 — CID 130266064

IUPAC4-naphthalen-2-yl-2-propan-2-ylquinazoline
SMILESCC(C)c1nc(-c2ccc3ccccc3c2)c2ccccc2n1
InChIInChI=1S/C21H18N2/c1-14(2)21-22-19-10-6-5-9-18(19)20(23-21)17-12-11-15-7-3-4-8-16(15)13-17/h3-14H,1-2H3
InChIKeyCBIHWTBFPVEPMO-UHFFFAOYSA-N
MW298.39 g/mol
LogP5.57
Rot. Bonds2

About 4-naphthalen-2-yl-2-propan-2-ylquinazoline

4-naphthalen-2-yl-2-propan-2-ylquinazoline (PubChem CID 130266064) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-naphthalen-2-yl-2-propan-2-ylquinazoline.

Molecular Properties

Compound Name4-naphthalen-2-yl-2-propan-2-ylquinazoline
PubChem CID130266064
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC Name4-naphthalen-2-yl-2-propan-2-ylquinazoline
SMILESCC(C)c1nc(-c2ccc3ccccc3c2)c2ccccc2n1
InChIInChI=1S/C21H18N2/c1-14(2)21-22-19-10-6-5-9-18(19)20(23-21)17-12-11-15-7-3-4-8-16(15)13-17/h3-14H,1-2H3
InChIKeyCBIHWTBFPVEPMO-UHFFFAOYSA-N
XLogP5.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-dibenzothiophen-3-yl-2-propan-2-ylquinazoline
CID 163797319
4-(2-phenylphenyl)-2-propan-2-ylquinazoline
CID 147384271
5-methyl-6-naphthalen-2-yl-2-propan-2-ylpyrimidin-4-amine
CID 80978774
6-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthridine
CID 58323745
12-naphthalen-2-yl-14-propan-2-yl-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 168816240
2-(3-methylbutan-2-yl)-4-phenylquinazoline
CID 142487747
4-naphthalen-2-ylquinazoline
CID 58881337
2-naphthalen-2-yl-4-(4-phenylphenyl)-6-propan-2-yl-1,3,5-triazine
CID 159185452
17-methyl-12-naphthalen-2-yl-14-propan-2-yl-13,15,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 168816444
2-triphenylen-2-yl-4-[6-(4-triphenylen-2-ylquinazolin-2-yl)naphthalen-2-yl]quinazoline
CID 163611723
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-phenylquinazoline
CID 152898383
2-(4-naphthalen-2-ylphenyl)-4-[3-[3-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]phenyl]-8-propan-2-ylquinazoline
CID 148698229

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-2-propan-2-ylquinazoline?
The IUPAC name of 4-naphthalen-2-yl-2-propan-2-ylquinazoline (CID 130266064) is 4-naphthalen-2-yl-2-propan-2-ylquinazoline.
What is the SMILES notation for 4-naphthalen-2-yl-2-propan-2-ylquinazoline?
The canonical SMILES for 4-naphthalen-2-yl-2-propan-2-ylquinazoline is CC(C)c1nc(-c2ccc3ccccc3c2)c2ccccc2n1.
What is the InChIKey of 4-naphthalen-2-yl-2-propan-2-ylquinazoline?
The InChIKey is CBIHWTBFPVEPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2/c1-14(2)21-22-19-10-6-5-9-18(19)20(23-21)17-12-11-15-7-3-4-8-16(15)13-17/h3-14H,1-2H3.
What are the key properties of 4-naphthalen-2-yl-2-propan-2-ylquinazoline?
4-naphthalen-2-yl-2-propan-2-ylquinazoline has a molecular weight of 298.39 g/mol, XLogP of 5.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-2-propan-2-ylquinazoline is sourced from PubChem (CID 130266064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).