11-(4-naphthalen-2-ylquinazolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene

C34H19N3S2 — CID 155790919

IUPAC11-(4-naphthalen-2-ylquinazolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
SMILESc1ccc2cc(-c3nc(-n4c5c6ccccc6sc5c5sc6ccccc6c54)nc4ccccc34)ccc2c1
InChIInChI=1S/C34H19N3S2/c1-2-10-21-19-22(18-17-20(21)9-1)29-23-11-3-6-14-26(23)35-34(36-29)37-30-24-12-4-7-15-27(24)38-32(30)33-31(37)25-13-5-8-16-28(25)39-33/h1-19H
InChIKeyUURNGFAEOFDBRF-UHFFFAOYSA-N
MW533.68 g/mol
LogP9.98
Rot. Bonds2

About 11-(4-naphthalen-2-ylquinazolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene

11-(4-naphthalen-2-ylquinazolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene (PubChem CID 155790919) has the molecular formula C34H19N3S2 and a molecular weight of 533.68 g/mol. Its IUPAC name is 11-(4-naphthalen-2-ylquinazolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene.

Molecular Properties

Compound Name11-(4-naphthalen-2-ylquinazolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
PubChem CID155790919
Molecular FormulaC34H19N3S2
Molecular Weight533.68 g/mol
Exact Mass533.10
IUPAC Name11-(4-naphthalen-2-ylquinazolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
SMILESc1ccc2cc(-c3nc(-n4c5c6ccccc6sc5c5sc6ccccc6c54)nc4ccccc34)ccc2c1
InChIInChI=1S/C34H19N3S2/c1-2-10-21-19-22(18-17-20(21)9-1)29-23-11-3-6-14-26(23)35-34(36-29)37-30-24-12-4-7-15-27(24)38-32(30)33-31(37)25-13-5-8-16-28(25)39-33/h1-19H
InChIKeyUURNGFAEOFDBRF-UHFFFAOYSA-N
XLogP9.98
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.68
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-(4-naphthalen-2-ylquinazolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-(4-naphthalen-2-ylquinazolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene?
The IUPAC name of 11-(4-naphthalen-2-ylquinazolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene (CID 155790919) is 11-(4-naphthalen-2-ylquinazolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene.
What is the SMILES notation for 11-(4-naphthalen-2-ylquinazolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene?
The canonical SMILES for 11-(4-naphthalen-2-ylquinazolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene is c1ccc2cc(-c3nc(-n4c5c6ccccc6sc5c5sc6ccccc6c54)nc4ccccc34)ccc2c1.
What is the InChIKey of 11-(4-naphthalen-2-ylquinazolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene?
The InChIKey is UURNGFAEOFDBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19N3S2/c1-2-10-21-19-22(18-17-20(21)9-1)29-23-11-3-6-14-26(23)35-34(36-29)37-30-24-12-4-7-15-27(24)38-32(30)33-31(37)25-13-5-8-16-28(25)39-33/h1-19H.
What are the key properties of 11-(4-naphthalen-2-ylquinazolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene?
11-(4-naphthalen-2-ylquinazolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene has a molecular weight of 533.68 g/mol, XLogP of 9.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-naphthalen-2-ylquinazolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene is sourced from PubChem (CID 155790919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).