4-methyl-2-[2-[3-(6-phenylhexyl)phenyl]-4-pyridinyl]quinazoline

C32H31N3 — CID 140675988

IUPAC4-methyl-2-[2-[3-(6-phenylhexyl)phenyl]-4-pyridinyl]quinazoline
SMILESCc1nc(-c2ccnc(-c3cccc(CCCCCCc4ccccc4)c3)c2)nc2ccccc12
InChIInChI=1S/C32H31N3/c1-24-29-18-9-10-19-30(29)35-32(34-24)28-20-21-33-31(23-28)27-17-11-16-26(22-27)15-6-3-2-5-12-25-13-7-4-8-14-25/h4,7-11,13-14,16-23H,2-3,5-6,12,15H2,1H3
InChIKeyQWWOOYDMMSEJGX-UHFFFAOYSA-N
MW457.62 g/mol
LogP8.01
Rot. Bonds9

About 4-methyl-2-[2-[3-(6-phenylhexyl)phenyl]-4-pyridinyl]quinazoline

4-methyl-2-[2-[3-(6-phenylhexyl)phenyl]-4-pyridinyl]quinazoline (PubChem CID 140675988) has the molecular formula C32H31N3 and a molecular weight of 457.62 g/mol. Its IUPAC name is 4-methyl-2-[2-[3-(6-phenylhexyl)phenyl]-4-pyridinyl]quinazoline.

Molecular Properties

Compound Name4-methyl-2-[2-[3-(6-phenylhexyl)phenyl]-4-pyridinyl]quinazoline
PubChem CID140675988
Molecular FormulaC32H31N3
Molecular Weight457.62 g/mol
Exact Mass457.25
IUPAC Name4-methyl-2-[2-[3-(6-phenylhexyl)phenyl]-4-pyridinyl]quinazoline
SMILESCc1nc(-c2ccnc(-c3cccc(CCCCCCc4ccccc4)c3)c2)nc2ccccc12
InChIInChI=1S/C32H31N3/c1-24-29-18-9-10-19-30(29)35-32(34-24)28-20-21-33-31(23-28)27-17-11-16-26(22-27)15-6-3-2-5-12-25-13-7-4-8-14-25/h4,7-11,13-14,16-23H,2-3,5-6,12,15H2,1H3
InChIKeyQWWOOYDMMSEJGX-UHFFFAOYSA-N
XLogP8.01
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.62
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,6-dimethylphenyl)-2-[3-[3-(6-phenylhexyl)phenyl]phenyl]pyridine
CID 155602159
4-phenyl-2-(3-propylphenyl)pyridine
CID 144632078
1-[3-[8-(3-isoquinolin-1-ylphenyl)octyl]phenyl]isoquinoline
CID 140678792
2-[3-[3-(6-phenylhexyl)phenyl]phenyl]quinoline
CID 122600309
2-(3-butylphenyl)-4-phenylquinoline
CID 141357650
4-(3-ethylphenyl)-2-phenylpyridine
CID 140601349
6-(3-butylphenyl)-12,14-diphenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene
CID 45278517
6-[4-[3-(4-phenylquinazolin-2-yl)phenyl]-2-pyridinyl]phenanthridine
CID 176819141
3-(2,6-dimethylphenyl)-1-[3-[3-(6-phenylhexyl)phenyl]phenyl]isoquinoline
CID 140745251
4-chloro-2-(3-pyridin-2-ylphenyl)quinazoline
CID 166908308
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222
2-(3-bromophenyl)-N-(3-phenylpropyl)quinazolin-4-amine
CID 46086052

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-[3-(6-phenylhexyl)phenyl]-4-pyridinyl]quinazoline?
The IUPAC name of 4-methyl-2-[2-[3-(6-phenylhexyl)phenyl]-4-pyridinyl]quinazoline (CID 140675988) is 4-methyl-2-[2-[3-(6-phenylhexyl)phenyl]-4-pyridinyl]quinazoline.
What is the SMILES notation for 4-methyl-2-[2-[3-(6-phenylhexyl)phenyl]-4-pyridinyl]quinazoline?
The canonical SMILES for 4-methyl-2-[2-[3-(6-phenylhexyl)phenyl]-4-pyridinyl]quinazoline is Cc1nc(-c2ccnc(-c3cccc(CCCCCCc4ccccc4)c3)c2)nc2ccccc12.
What is the InChIKey of 4-methyl-2-[2-[3-(6-phenylhexyl)phenyl]-4-pyridinyl]quinazoline?
The InChIKey is QWWOOYDMMSEJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3/c1-24-29-18-9-10-19-30(29)35-32(34-24)28-20-21-33-31(23-28)27-17-11-16-26(22-27)15-6-3-2-5-12-25-13-7-4-8-14-25/h4,7-11,13-14,16-23H,2-3,5-6,12,15H2,1H3.
What are the key properties of 4-methyl-2-[2-[3-(6-phenylhexyl)phenyl]-4-pyridinyl]quinazoline?
4-methyl-2-[2-[3-(6-phenylhexyl)phenyl]-4-pyridinyl]quinazoline has a molecular weight of 457.62 g/mol, XLogP of 8.01, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-[3-(6-phenylhexyl)phenyl]-4-pyridinyl]quinazoline is sourced from PubChem (CID 140675988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).