CID 174063651

C15H8BNO — CID 174063651

IUPAC—
SMILES[B]c1ccnc2c1oc1ccc3ccccc3c12
InChIInChI=1S/C15H8BNO/c16-11-7-8-17-14-13-10-4-2-1-3-9(10)5-6-12(13)18-15(11)14/h1-8H
InChIKeyRCWNVEAFAOQOKK-UHFFFAOYSA-N
MW229.05 g/mol
LogP2.93
Rot. Bonds

About CID 174063651

CID 174063651 (PubChem CID 174063651) has the molecular formula C15H8BNO and a molecular weight of 229.05 g/mol.

Molecular Properties

Compound NameCID 174063651
PubChem CID174063651
Molecular FormulaC15H8BNO
Molecular Weight229.05 g/mol
Exact Mass229.07
IUPAC Name—
SMILES[B]c1ccnc2c1oc1ccc3ccccc3c12
InChIInChI=1S/C15H8BNO/c16-11-7-8-17-14-13-10-4-2-1-3-9(10)5-6-12(13)18-15(11)14/h1-8H
InChIKeyRCWNVEAFAOQOKK-UHFFFAOYSA-N
XLogP2.93
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.05
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 138661052
16-oxaheptacyclo[15.12.0.02,15.03,12.04,9.018,27.019,24]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18(27),19,21,23,25,28-tetradecaene
CID 118131021
4-[3,5-bis(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]quinoline
CID 126550908
CID 148500416
CID 148500416
13-phenyl-15-(4-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 129128802
15-chloro-13-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 118551545
4-(3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaen-15-yl)-2-phenylpyridine
CID 164802692
4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 142281054
3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1,4,6,8,10,12,14,16,18,20-decaene
CID 14690181
4-(12,23-dioxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-yl)-2-phenylpyridine
CID 164802757
8-bromo-11-chloronaphtho[2,1-b][1]benzofuran
CID 167424257
benzo[h]quinoline;naphthalene
CID 175017782

Frequently Asked Questions

What is the IUPAC name of CID 174063651?
The IUPAC name of CID 174063651 (CID 174063651) is not available.
What is the SMILES notation for CID 174063651?
The canonical SMILES for CID 174063651 is [B]c1ccnc2c1oc1ccc3ccccc3c12.
What is the InChIKey of CID 174063651?
The InChIKey is RCWNVEAFAOQOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BNO/c16-11-7-8-17-14-13-10-4-2-1-3-9(10)5-6-12(13)18-15(11)14/h1-8H.
What are the key properties of CID 174063651?
CID 174063651 has a molecular weight of 229.05 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174063651 is sourced from PubChem (CID 174063651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).