8-[4-(4-methylphenyl)quinazolin-2-yl]-16-oxa-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene

C37H23N3O — CID 145313546

IUPAC8-[4-(4-methylphenyl)quinazolin-2-yl]-16-oxa-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene
SMILESCc1ccc(-c2nc(N3c4ccccc4-c4c5c3cccc5cc3oc5ccccc5c43)nc3ccccc23)cc1
InChIInChI=1S/C37H23N3O/c1-22-17-19-23(20-18-22)36-25-10-2-5-13-28(25)38-37(39-36)40-29-14-6-3-11-26(29)35-33-24(9-8-15-30(33)40)21-32-34(35)27-12-4-7-16-31(27)41-32/h2-21H,1H3
InChIKeySWOMYLOEXOCUTC-UHFFFAOYSA-N
MW525.61 g/mol
LogP10.11
Rot. Bonds2

About 8-[4-(4-methylphenyl)quinazolin-2-yl]-16-oxa-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene

8-[4-(4-methylphenyl)quinazolin-2-yl]-16-oxa-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene (PubChem CID 145313546) has the molecular formula C37H23N3O and a molecular weight of 525.61 g/mol. Its IUPAC name is 8-[4-(4-methylphenyl)quinazolin-2-yl]-16-oxa-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene.

Molecular Properties

Compound Name8-[4-(4-methylphenyl)quinazolin-2-yl]-16-oxa-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene
PubChem CID145313546
Molecular FormulaC37H23N3O
Molecular Weight525.61 g/mol
Exact Mass525.18
IUPAC Name8-[4-(4-methylphenyl)quinazolin-2-yl]-16-oxa-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene
SMILESCc1ccc(-c2nc(N3c4ccccc4-c4c5c3cccc5cc3oc5ccccc5c43)nc3ccccc23)cc1
InChIInChI=1S/C37H23N3O/c1-22-17-19-23(20-18-22)36-25-10-2-5-13-28(25)38-37(39-36)40-29-14-6-3-11-26(29)35-33-24(9-8-15-30(33)40)21-32-34(35)27-12-4-7-16-31(27)41-32/h2-21H,1H3
InChIKeySWOMYLOEXOCUTC-UHFFFAOYSA-N
XLogP10.11
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.61
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[4-(4-methylphenyl)quinazolin-2-yl]-16-oxa-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene with MolForge

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Related Compounds

12-(4-dibenzofuran-1-ylquinazolin-2-yl)-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
CID 149123745
8-(4-dibenzofuran-1-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-2-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-3-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 158048904
19-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4-methyl-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene
CID 142569030
3-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-15-yl)-9-(4-phenylquinazolin-2-yl)carbazole
CID 154595778
4-(3-dibenzofuran-1-ylphenyl)-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142568029
8-(4-dibenzothiophen-2-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 146214105
12-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
CID 147461570
8-(4-dibenzofuran-4-ylquinazolin-2-yl)-4,16-diphenyl-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene
CID 134605205
14-[3-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155246711
24-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 159019917
8-dibenzofuran-2-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 142571135
4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142568017

Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-methylphenyl)quinazolin-2-yl]-16-oxa-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene?
The IUPAC name of 8-[4-(4-methylphenyl)quinazolin-2-yl]-16-oxa-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene (CID 145313546) is 8-[4-(4-methylphenyl)quinazolin-2-yl]-16-oxa-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene.
What is the SMILES notation for 8-[4-(4-methylphenyl)quinazolin-2-yl]-16-oxa-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene?
The canonical SMILES for 8-[4-(4-methylphenyl)quinazolin-2-yl]-16-oxa-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene is Cc1ccc(-c2nc(N3c4ccccc4-c4c5c3cccc5cc3oc5ccccc5c43)nc3ccccc23)cc1.
What is the InChIKey of 8-[4-(4-methylphenyl)quinazolin-2-yl]-16-oxa-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene?
The InChIKey is SWOMYLOEXOCUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3O/c1-22-17-19-23(20-18-22)36-25-10-2-5-13-28(25)38-37(39-36)40-29-14-6-3-11-26(29)35-33-24(9-8-15-30(33)40)21-32-34(35)27-12-4-7-16-31(27)41-32/h2-21H,1H3.
What are the key properties of 8-[4-(4-methylphenyl)quinazolin-2-yl]-16-oxa-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene?
8-[4-(4-methylphenyl)quinazolin-2-yl]-16-oxa-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene has a molecular weight of 525.61 g/mol, XLogP of 10.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-methylphenyl)quinazolin-2-yl]-16-oxa-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene is sourced from PubChem (CID 145313546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).