2-(3-methylbutan-2-yl)-4-phenylquinazoline

C19H20N2 — CID 142487747

IUPAC2-(3-methylbutan-2-yl)-4-phenylquinazoline
SMILESCC(C)C(C)c1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C19H20N2/c1-13(2)14(3)19-20-17-12-8-7-11-16(17)18(21-19)15-9-5-4-6-10-15/h4-14H,1-3H3
InChIKeyHBNIONAGDZWXFE-UHFFFAOYSA-N
MW276.38 g/mol
LogP5.06
Rot. Bonds3

About 2-(3-methylbutan-2-yl)-4-phenylquinazoline

2-(3-methylbutan-2-yl)-4-phenylquinazoline (PubChem CID 142487747) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(3-methylbutan-2-yl)-4-phenylquinazoline.

Molecular Properties

Compound Name2-(3-methylbutan-2-yl)-4-phenylquinazoline
PubChem CID142487747
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name2-(3-methylbutan-2-yl)-4-phenylquinazoline
SMILESCC(C)C(C)c1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C19H20N2/c1-13(2)14(3)19-20-17-12-8-7-11-16(17)18(21-19)15-9-5-4-6-10-15/h4-14H,1-3H3
InChIKeyHBNIONAGDZWXFE-UHFFFAOYSA-N
XLogP5.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-(4-phenylquinazolin-2-yl)propan-1-ol
CID 101084013
(1S)-1-[4-[2-[(1S)-1-hydroxy-2-methylpropyl]quinazolin-4-yl]quinazolin-2-yl]-2-methylpropan-1-ol
CID 45257862
4-(2-phenylphenyl)-2-propan-2-ylquinazoline
CID 147384271
4-naphthalen-2-yl-2-propan-2-ylquinazoline
CID 130266064
4-phenylquinazolin-2-amine;hydrochloride
CID 174298789
4-dibenzothiophen-3-yl-2-propan-2-ylquinazoline
CID 163797319
2-iodo-4-(4-phenylphenyl)quinazoline
CID 134286122
4-phenylquinazoline-2-carbonitrile
CID 15424970
2-ethyl-4-(4-phenylphenyl)quinazoline
CID 134403599
2-ethoxy-4-phenylquinazoline
CID 134912772
2-(3,5-diphenylphenyl)-4-phenylquinazoline
CID 155283512
2-(6-methylquinolin-2-yl)-4-phenylquinazoline
CID 162351932

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-yl)-4-phenylquinazoline?
The IUPAC name of 2-(3-methylbutan-2-yl)-4-phenylquinazoline (CID 142487747) is 2-(3-methylbutan-2-yl)-4-phenylquinazoline.
What is the SMILES notation for 2-(3-methylbutan-2-yl)-4-phenylquinazoline?
The canonical SMILES for 2-(3-methylbutan-2-yl)-4-phenylquinazoline is CC(C)C(C)c1nc(-c2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-(3-methylbutan-2-yl)-4-phenylquinazoline?
The InChIKey is HBNIONAGDZWXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-13(2)14(3)19-20-17-12-8-7-11-16(17)18(21-19)15-9-5-4-6-10-15/h4-14H,1-3H3.
What are the key properties of 2-(3-methylbutan-2-yl)-4-phenylquinazoline?
2-(3-methylbutan-2-yl)-4-phenylquinazoline has a molecular weight of 276.38 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-yl)-4-phenylquinazoline is sourced from PubChem (CID 142487747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).