CID 178035195

C24H10BF2NO3 — CID 178035195

IUPAC—
SMILES[B]c1cc2c(=O)n(-c3ccccc3)c(=O)c3cc(F)c4c5cc(F)ccc5oc1c4c23
InChIInChI=1S/C24H10BF2NO3/c25-16-9-14-19-15(24(30)28(23(14)29)12-4-2-1-3-5-12)10-17(27)20-13-8-11(26)6-7-18(13)31-22(16)21(19)20/h1-10H
InChIKeyVALIMIFBFLWJGC-UHFFFAOYSA-N
MW409.16 g/mol
LogP3.91
Rot. Bonds1

About CID 178035195

CID 178035195 (PubChem CID 178035195) has the molecular formula C24H10BF2NO3 and a molecular weight of 409.16 g/mol.

Molecular Properties

Compound NameCID 178035195
PubChem CID178035195
Molecular FormulaC24H10BF2NO3
Molecular Weight409.16 g/mol
Exact Mass409.07
IUPAC Name—
SMILES[B]c1cc2c(=O)n(-c3ccccc3)c(=O)c3cc(F)c4c5cc(F)ccc5oc1c4c23
InChIInChI=1S/C24H10BF2NO3/c25-16-9-14-19-15(24(30)28(23(14)29)12-4-2-1-3-5-12)10-17(27)20-13-8-11(26)6-7-18(13)31-22(16)21(19)20/h1-10H
InChIKeyVALIMIFBFLWJGC-UHFFFAOYSA-N
XLogP3.91
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.16
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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6-chloro-10-fluorochromeno[2,3-c]quinolin-12-one
CID 139572456
3-hydroxy-2-phenylchromeno[2,3-c]pyridine-1,5-dione
CID 163192365
8-fluoro-3-methyl-[1]benzofuro[3,2-c]chromen-6-one
CID 118531178
7-fluoro-1-phenyl-3,1-benzoxazine-2,4-dione
CID 170551517
3,6-difluoro-10-phenylacridin-9-one
CID 156785373
7,17-diphenyl-7,17-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,9,11,13,15(19)-heptaene-6,8,16,18-tetrone
CID 10073329
3-(3-fluorophenyl)-6-methyl-1,3-benzoxazine-2,4-dione
CID 11747669
praseodymium;4,10,18-tris[3,5-bis(trifluoromethyl)phenyl]-14-phenyl-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(18),2(7),3,5,9,11,16,19-octaene-13,15-dione
CID 178035249
1-[9-(2,4-dioxo-3-phenylquinazolin-1-yl)dibenzofuran-2-yl]-3-phenylquinazoline-2,4-dione
CID 122491684
6-chloro-3-(4-fluorophenyl)-4-sulfanylidene-1,3-benzoxazin-2-one
CID 71591739
4-[4-[10,18-bis[3,5-bis(trifluoromethyl)phenyl]-13,15-dioxo-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(18),2,4,6,9,11,16,19-octaen-14-yl]phenyl]butanoic acid
CID 164906663

Frequently Asked Questions

What is the IUPAC name of CID 178035195?
The IUPAC name of CID 178035195 (CID 178035195) is not available.
What is the SMILES notation for CID 178035195?
The canonical SMILES for CID 178035195 is [B]c1cc2c(=O)n(-c3ccccc3)c(=O)c3cc(F)c4c5cc(F)ccc5oc1c4c23.
What is the InChIKey of CID 178035195?
The InChIKey is VALIMIFBFLWJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H10BF2NO3/c25-16-9-14-19-15(24(30)28(23(14)29)12-4-2-1-3-5-12)10-17(27)20-13-8-11(26)6-7-18(13)31-22(16)21(19)20/h1-10H.
What are the key properties of CID 178035195?
CID 178035195 has a molecular weight of 409.16 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178035195 is sourced from PubChem (CID 178035195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).