14-chloro-5-(3-methoxyphenyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene

C18H19ClN6O2 — CID 137418618

IUPAC14-chloro-5-(3-methoxyphenyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
SMILESCOc1cccc(-n2nc3c(c2C)Nc2ncc(Cl)c(n2)NCCCO3)c1
InChIInChI=1S/C18H19ClN6O2/c1-11-15-17(24-25(11)12-5-3-6-13(9-12)26-2)27-8-4-7-20-16-14(19)10-21-18(22-15)23-16/h3,5-6,9-10H,4,7-8H2,1-2H3,(H2,20,21,22,23)
InChIKeyFCGQHVYTHMNRFY-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.57
Rot. Bonds2

About 14-chloro-5-(3-methoxyphenyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene

14-chloro-5-(3-methoxyphenyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene (PubChem CID 137418618) has the molecular formula C18H19ClN6O2 and a molecular weight of 386.84 g/mol. Its IUPAC name is 14-chloro-5-(3-methoxyphenyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene.

Molecular Properties

Compound Name14-chloro-5-(3-methoxyphenyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
PubChem CID137418618
Molecular FormulaC18H19ClN6O2
Molecular Weight386.84 g/mol
Exact Mass386.13
IUPAC Name14-chloro-5-(3-methoxyphenyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
SMILESCOc1cccc(-n2nc3c(c2C)Nc2ncc(Cl)c(n2)NCCCO3)c1
InChIInChI=1S/C18H19ClN6O2/c1-11-15-17(24-25(11)12-5-3-6-13(9-12)26-2)27-8-4-7-20-16-14(19)10-21-18(22-15)23-16/h3,5-6,9-10H,4,7-8H2,1-2H3,(H2,20,21,22,23)
InChIKeyFCGQHVYTHMNRFY-UHFFFAOYSA-N
XLogP3.57
TPSA86.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 14-chloro-5-(3-methoxyphenyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene with MolForge

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Related Compounds

14-chloro-4-methyl-5-[1-(oxan-4-yl)ethyl]-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;einsteinium
CID 142515107
5-(5-fluoro-2-methoxy-3-pyridinyl)-4,14-dimethyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene;molecular hydrogen
CID 171084807
5-(2,6-dichlorophenyl)-2-(3-methoxyphenyl)-4H-1,2,4-triazol-3-one
CID 141387646
5-(2-chloro-6-methylphenyl)-2-(3-methoxyphenyl)-4H-1,2,4-triazol-3-one
CID 141387648
3-(4-chlorophenyl)-1-(3-methoxyphenyl)pyrazolo[5,4-b]pyridine
CID 139754198
3-(3-methoxyphenyl)-1-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 5032322
8-(3-chloro-4-hydroxyphenyl)-1-(3-methoxyphenyl)-4,8-dihydroimidazo[4,5-e][1,4]thiazepin-5-one
CID 71702323
7-(3-methoxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 117000684
1-(3-methoxyphenyl)-5-methylpyrazole-4-sulfonamide
CID 114798717
2-(3-methoxyphenyl)-3,4-dimethyl-7-piperazin-1-ylpyrazolo[3,4-d]pyridazine
CID 53213525
3-chloro-2-(3-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole
CID 114798880
1-(3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 84647418

Frequently Asked Questions

What is the IUPAC name of 14-chloro-5-(3-methoxyphenyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene?
The IUPAC name of 14-chloro-5-(3-methoxyphenyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene (CID 137418618) is 14-chloro-5-(3-methoxyphenyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene.
What is the SMILES notation for 14-chloro-5-(3-methoxyphenyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene?
The canonical SMILES for 14-chloro-5-(3-methoxyphenyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene is COc1cccc(-n2nc3c(c2C)Nc2ncc(Cl)c(n2)NCCCO3)c1.
What is the InChIKey of 14-chloro-5-(3-methoxyphenyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene?
The InChIKey is FCGQHVYTHMNRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O2/c1-11-15-17(24-25(11)12-5-3-6-13(9-12)26-2)27-8-4-7-20-16-14(19)10-21-18(22-15)23-16/h3,5-6,9-10H,4,7-8H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 14-chloro-5-(3-methoxyphenyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene?
14-chloro-5-(3-methoxyphenyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene has a molecular weight of 386.84 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 14-chloro-5-(3-methoxyphenyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene is sourced from PubChem (CID 137418618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).