24-(2-fluoroquinazolin-4-yl)-20,28-dioxa-1,24-diazadecacyclo[21.14.1.02,11.04,9.012,38.013,21.014,19.025,37.027,35.029,34]octatriaconta-2,4,6,8,10,12(38),13(21),14,16,18,22,25(37),26,29,31,33,35-heptadecaene

C42H21FN4O2 — CID 163980925

IUPAC24-(2-fluoroquinazolin-4-yl)-20,28-dioxa-1,24-diazadecacyclo[21.14.1.02,11.04,9.012,38.013,21.014,19.025,37.027,35.029,34]octatriaconta-2,4,6,8,10,12(38),13(21),14,16,18,22,25(37),26,29,31,33,35-heptadecaene
SMILESFc1nc(N2c3cc4oc5ccccc5c4cc3-n3c4cc5ccccc5cc4c4c5c(cc2c43)oc2ccccc25)c2ccccc2n1
InChIInChI=1S/C42H21FN4O2/c43-42-44-29-14-6-3-12-25(29)41(45-42)47-32-20-36-27(24-11-4-7-15-34(24)48-36)19-31(32)46-30-18-23-10-2-1-9-22(23)17-28(30)39-38-26-13-5-8-16-35(26)49-37(38)21-33(47)40(39)46/h1-21H
InChIKeySYHOZBUPJGLJIP-UHFFFAOYSA-N
MW632.65 g/mol
LogP11.60
Rot. Bonds1

About 24-(2-fluoroquinazolin-4-yl)-20,28-dioxa-1,24-diazadecacyclo[21.14.1.02,11.04,9.012,38.013,21.014,19.025,37.027,35.029,34]octatriaconta-2,4,6,8,10,12(38),13(21),14,16,18,22,25(37),26,29,31,33,35-heptadecaene

24-(2-fluoroquinazolin-4-yl)-20,28-dioxa-1,24-diazadecacyclo[21.14.1.02,11.04,9.012,38.013,21.014,19.025,37.027,35.029,34]octatriaconta-2,4,6,8,10,12(38),13(21),14,16,18,22,25(37),26,29,31,33,35-heptadecaene (PubChem CID 163980925) has the molecular formula C42H21FN4O2 and a molecular weight of 632.65 g/mol. Its IUPAC name is 24-(2-fluoroquinazolin-4-yl)-20,28-dioxa-1,24-diazadecacyclo[21.14.1.02,11.04,9.012,38.013,21.014,19.025,37.027,35.029,34]octatriaconta-2,4,6,8,10,12(38),13(21),14,16,18,22,25(37),26,29,31,33,35-heptadecaene.

Molecular Properties

Compound Name24-(2-fluoroquinazolin-4-yl)-20,28-dioxa-1,24-diazadecacyclo[21.14.1.02,11.04,9.012,38.013,21.014,19.025,37.027,35.029,34]octatriaconta-2,4,6,8,10,12(38),13(21),14,16,18,22,25(37),26,29,31,33,35-heptadecaene
PubChem CID163980925
Molecular FormulaC42H21FN4O2
Molecular Weight632.65 g/mol
Exact Mass632.16
IUPAC Name24-(2-fluoroquinazolin-4-yl)-20,28-dioxa-1,24-diazadecacyclo[21.14.1.02,11.04,9.012,38.013,21.014,19.025,37.027,35.029,34]octatriaconta-2,4,6,8,10,12(38),13(21),14,16,18,22,25(37),26,29,31,33,35-heptadecaene
SMILESFc1nc(N2c3cc4oc5ccccc5c4cc3-n3c4cc5ccccc5cc4c4c5c(cc2c43)oc2ccccc25)c2ccccc2n1
InChIInChI=1S/C42H21FN4O2/c43-42-44-29-14-6-3-12-25(29)41(45-42)47-32-20-36-27(24-11-4-7-15-34(24)48-36)19-31(32)46-30-18-23-10-2-1-9-22(23)17-28(30)39-38-26-13-5-8-16-35(26)49-37(38)21-33(47)40(39)46/h1-21H
InChIKeySYHOZBUPJGLJIP-UHFFFAOYSA-N
XLogP11.60
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.65
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 24-(2-fluoroquinazolin-4-yl)-20,28-dioxa-1,24-diazadecacyclo[21.14.1.02,11.04,9.012,38.013,21.014,19.025,37.027,35.029,34]octatriaconta-2,4,6,8,10,12(38),13(21),14,16,18,22,25(37),26,29,31,33,35-heptadecaene 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

12-(1,3-benzoxazol-2-yl)-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118502783
12-[2-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 167347957
25-(4-dibenzofuran-2-ylquinazolin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene
CID 134235598
12-(4-dibenzofuran-3-ylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 139361741
12-[3-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166700220
12-[2-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166700694
12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118151066
5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347497
5-[3-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167347934
2-(5-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3-benzoxazole
CID 171754651
12-[3-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 167347382
12-[3-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 166699558

Frequently Asked Questions

What is the IUPAC name of 24-(2-fluoroquinazolin-4-yl)-20,28-dioxa-1,24-diazadecacyclo[21.14.1.02,11.04,9.012,38.013,21.014,19.025,37.027,35.029,34]octatriaconta-2,4,6,8,10,12(38),13(21),14,16,18,22,25(37),26,29,31,33,35-heptadecaene?
The IUPAC name of 24-(2-fluoroquinazolin-4-yl)-20,28-dioxa-1,24-diazadecacyclo[21.14.1.02,11.04,9.012,38.013,21.014,19.025,37.027,35.029,34]octatriaconta-2,4,6,8,10,12(38),13(21),14,16,18,22,25(37),26,29,31,33,35-heptadecaene (CID 163980925) is 24-(2-fluoroquinazolin-4-yl)-20,28-dioxa-1,24-diazadecacyclo[21.14.1.02,11.04,9.012,38.013,21.014,19.025,37.027,35.029,34]octatriaconta-2,4,6,8,10,12(38),13(21),14,16,18,22,25(37),26,29,31,33,35-heptadecaene.
What is the SMILES notation for 24-(2-fluoroquinazolin-4-yl)-20,28-dioxa-1,24-diazadecacyclo[21.14.1.02,11.04,9.012,38.013,21.014,19.025,37.027,35.029,34]octatriaconta-2,4,6,8,10,12(38),13(21),14,16,18,22,25(37),26,29,31,33,35-heptadecaene?
The canonical SMILES for 24-(2-fluoroquinazolin-4-yl)-20,28-dioxa-1,24-diazadecacyclo[21.14.1.02,11.04,9.012,38.013,21.014,19.025,37.027,35.029,34]octatriaconta-2,4,6,8,10,12(38),13(21),14,16,18,22,25(37),26,29,31,33,35-heptadecaene is Fc1nc(N2c3cc4oc5ccccc5c4cc3-n3c4cc5ccccc5cc4c4c5c(cc2c43)oc2ccccc25)c2ccccc2n1.
What is the InChIKey of 24-(2-fluoroquinazolin-4-yl)-20,28-dioxa-1,24-diazadecacyclo[21.14.1.02,11.04,9.012,38.013,21.014,19.025,37.027,35.029,34]octatriaconta-2,4,6,8,10,12(38),13(21),14,16,18,22,25(37),26,29,31,33,35-heptadecaene?
The InChIKey is SYHOZBUPJGLJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H21FN4O2/c43-42-44-29-14-6-3-12-25(29)41(45-42)47-32-20-36-27(24-11-4-7-15-34(24)48-36)19-31(32)46-30-18-23-10-2-1-9-22(23)17-28(30)39-38-26-13-5-8-16-35(26)49-37(38)21-33(47)40(39)46/h1-21H.
What are the key properties of 24-(2-fluoroquinazolin-4-yl)-20,28-dioxa-1,24-diazadecacyclo[21.14.1.02,11.04,9.012,38.013,21.014,19.025,37.027,35.029,34]octatriaconta-2,4,6,8,10,12(38),13(21),14,16,18,22,25(37),26,29,31,33,35-heptadecaene?
24-(2-fluoroquinazolin-4-yl)-20,28-dioxa-1,24-diazadecacyclo[21.14.1.02,11.04,9.012,38.013,21.014,19.025,37.027,35.029,34]octatriaconta-2,4,6,8,10,12(38),13(21),14,16,18,22,25(37),26,29,31,33,35-heptadecaene has a molecular weight of 632.65 g/mol, XLogP of 11.60, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 24-(2-fluoroquinazolin-4-yl)-20,28-dioxa-1,24-diazadecacyclo[21.14.1.02,11.04,9.012,38.013,21.014,19.025,37.027,35.029,34]octatriaconta-2,4,6,8,10,12(38),13(21),14,16,18,22,25(37),26,29,31,33,35-heptadecaene is sourced from PubChem (CID 163980925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).