(9S)-9-(furan-2-yl)-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol

C17H12N4O3 — CID 7643837

IUPAC(9S)-9-(furan-2-yl)-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol
SMILESCc1nc2c3c(ncn2n1)Oc1cc(O)ccc1[C@@H]3c1ccco1
InChIInChI=1S/C17H12N4O3/c1-9-19-16-15-14(12-3-2-6-23-12)11-5-4-10(22)7-13(11)24-17(15)18-8-21(16)20-9/h2-8,14,22H,1H3/t14-/m1/s1
InChIKeyYGUZLSIWKZUGIE-CQSZACIVSA-N
MW320.31 g/mol
LogP3.02
Rot. Bonds1

About (9S)-9-(furan-2-yl)-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol

(9S)-9-(furan-2-yl)-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol (PubChem CID 7643837) has the molecular formula C17H12N4O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is (9S)-9-(furan-2-yl)-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol.

Molecular Properties

Compound Name(9S)-9-(furan-2-yl)-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol
PubChem CID7643837
Molecular FormulaC17H12N4O3
Molecular Weight320.31 g/mol
Exact Mass320.09
IUPAC Name(9S)-9-(furan-2-yl)-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol
SMILESCc1nc2c3c(ncn2n1)Oc1cc(O)ccc1[C@@H]3c1ccco1
InChIInChI=1S/C17H12N4O3/c1-9-19-16-15-14(12-3-2-6-23-12)11-5-4-10(22)7-13(11)24-17(15)18-8-21(16)20-9/h2-8,14,22H,1H3/t14-/m1/s1
InChIKeyYGUZLSIWKZUGIE-CQSZACIVSA-N
XLogP3.02
TPSA85.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (9S)-9-(furan-2-yl)-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (9S)-9-(furan-2-yl)-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol?
The IUPAC name of (9S)-9-(furan-2-yl)-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol (CID 7643837) is (9S)-9-(furan-2-yl)-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol.
What is the SMILES notation for (9S)-9-(furan-2-yl)-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol?
The canonical SMILES for (9S)-9-(furan-2-yl)-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol is Cc1nc2c3c(ncn2n1)Oc1cc(O)ccc1[C@@H]3c1ccco1.
What is the InChIKey of (9S)-9-(furan-2-yl)-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol?
The InChIKey is YGUZLSIWKZUGIE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H12N4O3/c1-9-19-16-15-14(12-3-2-6-23-12)11-5-4-10(22)7-13(11)24-17(15)18-8-21(16)20-9/h2-8,14,22H,1H3/t14-/m1/s1.
What are the key properties of (9S)-9-(furan-2-yl)-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol?
(9S)-9-(furan-2-yl)-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol has a molecular weight of 320.31 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-9-(furan-2-yl)-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol is sourced from PubChem (CID 7643837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).