14-methyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione

C16H10N2O3 — CID 102071789

IUPAC14-methyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione
SMILESCn1c(=O)nc2oc3cc4ccccc4ccc3c2c1=O
InChIInChI=1S/C16H10N2O3/c1-18-15(19)13-11-7-6-9-4-2-3-5-10(9)8-12(11)21-14(13)17-16(18)20/h2-8H,1H3
InChIKeyRRCADFLTGMJUQB-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.19
Rot. Bonds

About 14-methyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione

14-methyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione (PubChem CID 102071789) has the molecular formula C16H10N2O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 14-methyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione.

Molecular Properties

Compound Name14-methyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione
PubChem CID102071789
Molecular FormulaC16H10N2O3
Molecular Weight278.27 g/mol
Exact Mass278.07
IUPAC Name14-methyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione
SMILESCn1c(=O)nc2oc3cc4ccccc4ccc3c2c1=O
InChIInChI=1S/C16H10N2O3/c1-18-15(19)13-11-7-6-9-4-2-3-5-10(9)8-12(11)21-14(13)17-16(18)20/h2-8H,1H3
InChIKeyRRCADFLTGMJUQB-UHFFFAOYSA-N
XLogP2.19
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 14-methyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione with MolForge

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Related Compounds

14-butyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione
CID 102071790
8-methoxy-2-methyl-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione
CID 2040325
3,9-dimethoxy-5-methyl-[1]benzofuro[3,2-c]quinolin-6-one
CID 2794540
24-methyl-2-oxa-16,23,25-triazahexacyclo[12.11.0.03,12.05,10.015,23.017,22]pentacosa-1(14),3,5,7,9,11,15,17,19,21,24-undecaen-13-one
CID 4900478
8-methoxynaphtho[1,2-c]chromen-5-one
CID 118617567
8-methoxy-2-phenyl-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione
CID 4887833
7-methoxy-4-oxapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),5(10),6,8,12,15,17,19,21-decaen-3-one
CID 118617487
ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,3-b][1]benzofuran
CID 142369862
4,7-diphenyl-3H-[1]benzofuro[2,3-d]pyrimidin-2-one
CID 175627263
8-methoxy-2-(4-methylphenyl)-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione
CID 4887296
2-methylbenzo[e][1,2]benzoxazol-1-one
CID 11412966
naphtho[2,3-c]isochromen-5-one
CID 11379597

Frequently Asked Questions

What is the IUPAC name of 14-methyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione?
The IUPAC name of 14-methyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione (CID 102071789) is 14-methyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione.
What is the SMILES notation for 14-methyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione?
The canonical SMILES for 14-methyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione is Cn1c(=O)nc2oc3cc4ccccc4ccc3c2c1=O.
What is the InChIKey of 14-methyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione?
The InChIKey is RRCADFLTGMJUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O3/c1-18-15(19)13-11-7-6-9-4-2-3-5-10(9)8-12(11)21-14(13)17-16(18)20/h2-8H,1H3.
What are the key properties of 14-methyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione?
14-methyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione has a molecular weight of 278.27 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione is sourced from PubChem (CID 102071789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).