4-(2-propan-2-ylphenyl)benzo[h]quinazoline

C21H18N2 — CID 140737642

IUPAC4-(2-propan-2-ylphenyl)benzo[h]quinazoline
SMILESCC(C)c1ccccc1-c1ncnc2c1ccc1ccccc12
InChIInChI=1S/C21H18N2/c1-14(2)16-8-5-6-10-18(16)21-19-12-11-15-7-3-4-9-17(15)20(19)22-13-23-21/h3-14H,1-2H3
InChIKeyCMWGZNPJNIOJHV-UHFFFAOYSA-N
MW298.39 g/mol
LogP5.57
Rot. Bonds2

About 4-(2-propan-2-ylphenyl)benzo[h]quinazoline

4-(2-propan-2-ylphenyl)benzo[h]quinazoline (PubChem CID 140737642) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-(2-propan-2-ylphenyl)benzo[h]quinazoline.

Molecular Properties

Compound Name4-(2-propan-2-ylphenyl)benzo[h]quinazoline
PubChem CID140737642
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC Name4-(2-propan-2-ylphenyl)benzo[h]quinazoline
SMILESCC(C)c1ccccc1-c1ncnc2c1ccc1ccccc12
InChIInChI=1S/C21H18N2/c1-14(2)16-8-5-6-10-18(16)21-19-12-11-15-7-3-4-9-17(15)20(19)22-13-23-21/h3-14H,1-2H3
InChIKeyCMWGZNPJNIOJHV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-dibenzofuran-4-yl-10-propan-2-ylbenzo[h]quinazoline
CID 162693258
methanamine;4-phenylbenzo[h]quinazoline
CID 154692621
4-naphthalen-1-yl-8-phenylquinazoline
CID 166801148
17-methyl-15-(4-propan-2-ylnaphthalen-2-yl)-12,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 168816669
1-propan-2-ylphenanthrene
CID 12628671
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
16-(4-propan-2-ylnaphthalen-1-yl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 168816413
butane;1-propan-2-ylnaphthalene
CID 157253186
ethane;N-phenylbenzo[h]quinazolin-4-amine
CID 91248372
5-(2-deuteriopropan-2-yl)-1-(3,5-dimethylphenyl)naphtho[1,2-h]quinazoline
CID 162692728
1-(2-propan-2-ylphenyl)-9H-pyrido[3,4-b]indole
CID 150354253
1-chloro-2-propan-2-ylnaphthalene
CID 59606760

Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-ylphenyl)benzo[h]quinazoline?
The IUPAC name of 4-(2-propan-2-ylphenyl)benzo[h]quinazoline (CID 140737642) is 4-(2-propan-2-ylphenyl)benzo[h]quinazoline.
What is the SMILES notation for 4-(2-propan-2-ylphenyl)benzo[h]quinazoline?
The canonical SMILES for 4-(2-propan-2-ylphenyl)benzo[h]quinazoline is CC(C)c1ccccc1-c1ncnc2c1ccc1ccccc12.
What is the InChIKey of 4-(2-propan-2-ylphenyl)benzo[h]quinazoline?
The InChIKey is CMWGZNPJNIOJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2/c1-14(2)16-8-5-6-10-18(16)21-19-12-11-15-7-3-4-9-17(15)20(19)22-13-23-21/h3-14H,1-2H3.
What are the key properties of 4-(2-propan-2-ylphenyl)benzo[h]quinazoline?
4-(2-propan-2-ylphenyl)benzo[h]quinazoline 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-(2-propan-2-ylphenyl)benzo[h]quinazoline is sourced from PubChem (CID 140737642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).