4-pentyl-2-phenylquinazoline

C19H20N2 — CID 122226497

IUPAC4-pentyl-2-phenylquinazoline
SMILESCCCCCc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C19H20N2/c1-2-3-5-13-17-16-12-8-9-14-18(16)21-19(20-17)15-10-6-4-7-11-15/h4,6-12,14H,2-3,5,13H2,1H3
InChIKeyWCESHKDGNAGSPI-UHFFFAOYSA-N
MW276.38 g/mol
LogP5.03
Rot. Bonds5

About 4-pentyl-2-phenylquinazoline

4-pentyl-2-phenylquinazoline (PubChem CID 122226497) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-pentyl-2-phenylquinazoline.

Molecular Properties

Compound Name4-pentyl-2-phenylquinazoline
PubChem CID122226497
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name4-pentyl-2-phenylquinazoline
SMILESCCCCCc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C19H20N2/c1-2-3-5-13-17-16-12-8-9-14-18(16)21-19(20-17)15-10-6-4-7-11-15/h4,6-12,14H,2-3,5,13H2,1H3
InChIKeyWCESHKDGNAGSPI-UHFFFAOYSA-N
XLogP5.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-2-(6-methyl-2-pyridinyl)quinazoline
CID 67689396
4-chloro-6-hexyl-5-pentyl-2-phenylpyrimidine
CID 10712514
4-butyl-5,6-dimethyl-2-phenylpyrimidine
CID 138967628
6-hexyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinoline
CID 86078546
4-chloro-2,3-didecylquinoline
CID 141080010
2-(2-chlorophenyl)-4-undecylquinazolin-6-ol
CID 86256332
N-butyl-N-methyl-2-(4-methylphenyl)quinazolin-4-amine
CID 15992174
2-phenyl-N-propylquinazolin-4-amine
CID 10244508
2-methyl-4-propylquinazoline
CID 22419316
2,3-dibutylquinoxaline
CID 14641798
9-butylacridine
CID 606127
2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 134182691

Frequently Asked Questions

What is the IUPAC name of 4-pentyl-2-phenylquinazoline?
The IUPAC name of 4-pentyl-2-phenylquinazoline (CID 122226497) is 4-pentyl-2-phenylquinazoline.
What is the SMILES notation for 4-pentyl-2-phenylquinazoline?
The canonical SMILES for 4-pentyl-2-phenylquinazoline is CCCCCc1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 4-pentyl-2-phenylquinazoline?
The InChIKey is WCESHKDGNAGSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-2-3-5-13-17-16-12-8-9-14-18(16)21-19(20-17)15-10-6-4-7-11-15/h4,6-12,14H,2-3,5,13H2,1H3.
What are the key properties of 4-pentyl-2-phenylquinazoline?
4-pentyl-2-phenylquinazoline has a molecular weight of 276.38 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-2-phenylquinazoline is sourced from PubChem (CID 122226497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).