14-methyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,15,19,21,23-decaene

C44H33N3O — CID 144705256

IUPAC14-methyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,15,19,21,23-decaene
SMILESCC1C=CC(c2ccc3oc4c5c(c6c(c7ccccc7n6-c6nc(-c7ccccc7)c7ccccc7n6)c4c3c2)=CC(C)CC=5)=CC1
InChIInChI=1S/C44H33N3O/c1-26-16-19-28(20-17-26)30-21-23-38-35(25-30)40-39-33-13-7-9-15-37(33)47(42(39)34-24-27(2)18-22-31(34)43(40)48-38)44-45-36-14-8-6-12-32(36)41(46-44)29-10-4-3-5-11-29/h3-16,19-27H,17-18H2,1-2H3
InChIKeyIQHUQLDLSSLCTN-UHFFFAOYSA-N
MW619.77 g/mol
LogP9.87
Rot. Bonds3

About 14-methyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,15,19,21,23-decaene

14-methyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,15,19,21,23-decaene (PubChem CID 144705256) has the molecular formula C44H33N3O and a molecular weight of 619.77 g/mol. Its IUPAC name is 14-methyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,15,19,21,23-decaene.

Molecular Properties

Compound Name14-methyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,15,19,21,23-decaene
PubChem CID144705256
Molecular FormulaC44H33N3O
Molecular Weight619.77 g/mol
Exact Mass619.26
IUPAC Name14-methyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,15,19,21,23-decaene
SMILESCC1C=CC(c2ccc3oc4c5c(c6c(c7ccccc7n6-c6nc(-c7ccccc7)c7ccccc7n6)c4c3c2)=CC(C)CC=5)=CC1
InChIInChI=1S/C44H33N3O/c1-26-16-19-28(20-17-26)30-21-23-38-35(25-30)40-39-33-13-7-9-15-37(33)47(42(39)34-24-27(2)18-22-31(34)43(40)48-38)44-45-36-14-8-6-12-32(36)41(46-44)29-10-4-3-5-11-29/h3-16,19-27H,17-18H2,1-2H3
InChIKeyIQHUQLDLSSLCTN-UHFFFAOYSA-N
XLogP9.87
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.77
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-methyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,15,19,21,23-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

18-(4-dibenzofuran-2-ylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 118672656
9-[4-(4-dibenzofuran-2-ylphenyl)quinazolin-2-yl]-18-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118634606
18-[4-[3-[6-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazol-3-yl]phenyl]quinazolin-2-yl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 146615811
18-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 118672666
12-[4-(3-phenylphenyl)quinazolin-2-yl]-9-oxa-12-azaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene
CID 134359241
20-phenyl-24-[4-(4-phenylphenyl)quinazolin-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(23),19,21-undecaene
CID 129292575
24-(4-phenylquinazolin-2-yl)-3-oxa-13,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11(16),12,14,18,20,22-undecaene
CID 134361385
16-[4-(4-methylcyclohexa-1,5-dien-1-yl)quinazolin-2-yl]-3-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene
CID 145276785
19-dibenzofuran-2-yl-9-[4-(6-methyl-5,6-dihydronaphthalen-2-yl)quinazolin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 166702748
5,20-dimethyl-24-(4-phenylquinazolin-2-yl)-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene
CID 146214208
18,18-dimethyl-9-(4-phenylquinazolin-2-yl)-21-oxa-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635233
3-(9-phenylcarbazol-3-yl)-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 90050449

Frequently Asked Questions

What is the IUPAC name of 14-methyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,15,19,21,23-decaene?
The IUPAC name of 14-methyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,15,19,21,23-decaene (CID 144705256) is 14-methyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,15,19,21,23-decaene.
What is the SMILES notation for 14-methyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,15,19,21,23-decaene?
The canonical SMILES for 14-methyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,15,19,21,23-decaene is CC1C=CC(c2ccc3oc4c5c(c6c(c7ccccc7n6-c6nc(-c7ccccc7)c7ccccc7n6)c4c3c2)=CC(C)CC=5)=CC1.
What is the InChIKey of 14-methyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,15,19,21,23-decaene?
The InChIKey is IQHUQLDLSSLCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33N3O/c1-26-16-19-28(20-17-26)30-21-23-38-35(25-30)40-39-33-13-7-9-15-37(33)47(42(39)34-24-27(2)18-22-31(34)43(40)48-38)44-45-36-14-8-6-12-32(36)41(46-44)29-10-4-3-5-11-29/h3-16,19-27H,17-18H2,1-2H3.
What are the key properties of 14-methyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,15,19,21,23-decaene?
14-methyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,15,19,21,23-decaene has a molecular weight of 619.77 g/mol, XLogP of 9.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,15,19,21,23-decaene is sourced from PubChem (CID 144705256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).