23-(4-phenylquinazolin-2-yl)-3-oxa-14-thia-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),12,17,19,21-decaene

C33H18N4OS — CID 134361410

IUPAC23-(4-phenylquinazolin-2-yl)-3-oxa-14-thia-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),12,17,19,21-decaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c5scnc5c5c6ccccc6oc5c43)nc3ccccc23)cc1
InChIInChI=1S/C33H18N4OS/c1-2-10-19(11-3-1)28-20-12-4-7-15-23(20)35-33(36-28)37-24-16-8-5-13-21(24)27-30(37)31-26(29-32(27)39-18-34-29)22-14-6-9-17-25(22)38-31/h1-18H
InChIKeyHFWBCBZZKGJFSC-UHFFFAOYSA-N
MW518.60 g/mol
LogP8.90
Rot. Bonds2

About 23-(4-phenylquinazolin-2-yl)-3-oxa-14-thia-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),12,17,19,21-decaene

23-(4-phenylquinazolin-2-yl)-3-oxa-14-thia-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),12,17,19,21-decaene (PubChem CID 134361410) has the molecular formula C33H18N4OS and a molecular weight of 518.60 g/mol. Its IUPAC name is 23-(4-phenylquinazolin-2-yl)-3-oxa-14-thia-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),12,17,19,21-decaene.

Molecular Properties

Compound Name23-(4-phenylquinazolin-2-yl)-3-oxa-14-thia-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),12,17,19,21-decaene
PubChem CID134361410
Molecular FormulaC33H18N4OS
Molecular Weight518.60 g/mol
Exact Mass518.12
IUPAC Name23-(4-phenylquinazolin-2-yl)-3-oxa-14-thia-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),12,17,19,21-decaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c5scnc5c5c6ccccc6oc5c43)nc3ccccc23)cc1
InChIInChI=1S/C33H18N4OS/c1-2-10-19(11-3-1)28-20-12-4-7-15-23(20)35-33(36-28)37-24-16-8-5-13-21(24)27-30(37)31-26(29-32(27)39-18-34-29)22-14-6-9-17-25(22)38-31/h1-18H
InChIKeyHFWBCBZZKGJFSC-UHFFFAOYSA-N
XLogP8.90
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.60
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 23-(4-phenylquinazolin-2-yl)-3-oxa-14-thia-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),12,17,19,21-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 23-(4-phenylquinazolin-2-yl)-3-oxa-14-thia-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),12,17,19,21-decaene?
The IUPAC name of 23-(4-phenylquinazolin-2-yl)-3-oxa-14-thia-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),12,17,19,21-decaene (CID 134361410) is 23-(4-phenylquinazolin-2-yl)-3-oxa-14-thia-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),12,17,19,21-decaene.
What is the SMILES notation for 23-(4-phenylquinazolin-2-yl)-3-oxa-14-thia-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),12,17,19,21-decaene?
The canonical SMILES for 23-(4-phenylquinazolin-2-yl)-3-oxa-14-thia-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),12,17,19,21-decaene is c1ccc(-c2nc(-n3c4ccccc4c4c5scnc5c5c6ccccc6oc5c43)nc3ccccc23)cc1.
What is the InChIKey of 23-(4-phenylquinazolin-2-yl)-3-oxa-14-thia-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),12,17,19,21-decaene?
The InChIKey is HFWBCBZZKGJFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H18N4OS/c1-2-10-19(11-3-1)28-20-12-4-7-15-23(20)35-33(36-28)37-24-16-8-5-13-21(24)27-30(37)31-26(29-32(27)39-18-34-29)22-14-6-9-17-25(22)38-31/h1-18H.
What are the key properties of 23-(4-phenylquinazolin-2-yl)-3-oxa-14-thia-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),12,17,19,21-decaene?
23-(4-phenylquinazolin-2-yl)-3-oxa-14-thia-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),12,17,19,21-decaene has a molecular weight of 518.60 g/mol, XLogP of 8.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 23-(4-phenylquinazolin-2-yl)-3-oxa-14-thia-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),12,17,19,21-decaene is sourced from PubChem (CID 134361410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).