17-chloro-4-(difluoromethoxy)-5-methyl-1,9,13-triazatetracyclo[10.7.0.03,8.014,19]nonadeca-3(8),4,6,12,14(19),15,17-heptaene

C18H16ClF2N3O — CID 178170199

IUPAC17-chloro-4-(difluoromethoxy)-5-methyl-1,9,13-triazatetracyclo[10.7.0.03,8.014,19]nonadeca-3(8),4,6,12,14(19),15,17-heptaene
SMILESCc1ccc2c(c1OC(F)F)Cn1c(nc3ccc(Cl)cc31)CCN2
InChIInChI=1S/C18H16ClF2N3O/c1-10-2-4-13-12(17(10)25-18(20)21)9-24-15-8-11(19)3-5-14(15)23-16(24)6-7-22-13/h2-5,8,18,22H,6-7,9H2,1H3
InChIKeyPKWLFBCDLVJKBW-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.62
Rot. Bonds2

About 17-chloro-4-(difluoromethoxy)-5-methyl-1,9,13-triazatetracyclo[10.7.0.03,8.014,19]nonadeca-3(8),4,6,12,14(19),15,17-heptaene

17-chloro-4-(difluoromethoxy)-5-methyl-1,9,13-triazatetracyclo[10.7.0.03,8.014,19]nonadeca-3(8),4,6,12,14(19),15,17-heptaene (PubChem CID 178170199) has the molecular formula C18H16ClF2N3O and a molecular weight of 363.80 g/mol. Its IUPAC name is 17-chloro-4-(difluoromethoxy)-5-methyl-1,9,13-triazatetracyclo[10.7.0.03,8.014,19]nonadeca-3(8),4,6,12,14(19),15,17-heptaene.

Molecular Properties

Compound Name17-chloro-4-(difluoromethoxy)-5-methyl-1,9,13-triazatetracyclo[10.7.0.03,8.014,19]nonadeca-3(8),4,6,12,14(19),15,17-heptaene
PubChem CID178170199
Molecular FormulaC18H16ClF2N3O
Molecular Weight363.80 g/mol
Exact Mass363.09
IUPAC Name17-chloro-4-(difluoromethoxy)-5-methyl-1,9,13-triazatetracyclo[10.7.0.03,8.014,19]nonadeca-3(8),4,6,12,14(19),15,17-heptaene
SMILESCc1ccc2c(c1OC(F)F)Cn1c(nc3ccc(Cl)cc31)CCN2
InChIInChI=1S/C18H16ClF2N3O/c1-10-2-4-13-12(17(10)25-18(20)21)9-24-15-8-11(19)3-5-14(15)23-16(24)6-7-22-13/h2-5,8,18,22H,6-7,9H2,1H3
InChIKeyPKWLFBCDLVJKBW-UHFFFAOYSA-N
XLogP4.62
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 17-chloro-4-(difluoromethoxy)-5-methyl-1,9,13-triazatetracyclo[10.7.0.03,8.014,19]nonadeca-3(8),4,6,12,14(19),15,17-heptaene with MolForge

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Related Compounds

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9-chloro-7-(difluoromethoxy)-1,2,3,4-tetrahydroacridine
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6-chloro-2-(2-chloroethyl)-1-(3-fluoro-4-methylphenyl)benzimidazole
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[4-[(1R)-1-[5-chloro-2-(difluoromethoxy)phenyl]-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]phenyl]-imino-methyl-oxo-λ6-sulfane
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Frequently Asked Questions

What is the IUPAC name of 17-chloro-4-(difluoromethoxy)-5-methyl-1,9,13-triazatetracyclo[10.7.0.03,8.014,19]nonadeca-3(8),4,6,12,14(19),15,17-heptaene?
The IUPAC name of 17-chloro-4-(difluoromethoxy)-5-methyl-1,9,13-triazatetracyclo[10.7.0.03,8.014,19]nonadeca-3(8),4,6,12,14(19),15,17-heptaene (CID 178170199) is 17-chloro-4-(difluoromethoxy)-5-methyl-1,9,13-triazatetracyclo[10.7.0.03,8.014,19]nonadeca-3(8),4,6,12,14(19),15,17-heptaene.
What is the SMILES notation for 17-chloro-4-(difluoromethoxy)-5-methyl-1,9,13-triazatetracyclo[10.7.0.03,8.014,19]nonadeca-3(8),4,6,12,14(19),15,17-heptaene?
The canonical SMILES for 17-chloro-4-(difluoromethoxy)-5-methyl-1,9,13-triazatetracyclo[10.7.0.03,8.014,19]nonadeca-3(8),4,6,12,14(19),15,17-heptaene is Cc1ccc2c(c1OC(F)F)Cn1c(nc3ccc(Cl)cc31)CCN2.
What is the InChIKey of 17-chloro-4-(difluoromethoxy)-5-methyl-1,9,13-triazatetracyclo[10.7.0.03,8.014,19]nonadeca-3(8),4,6,12,14(19),15,17-heptaene?
The InChIKey is PKWLFBCDLVJKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2N3O/c1-10-2-4-13-12(17(10)25-18(20)21)9-24-15-8-11(19)3-5-14(15)23-16(24)6-7-22-13/h2-5,8,18,22H,6-7,9H2,1H3.
What are the key properties of 17-chloro-4-(difluoromethoxy)-5-methyl-1,9,13-triazatetracyclo[10.7.0.03,8.014,19]nonadeca-3(8),4,6,12,14(19),15,17-heptaene?
17-chloro-4-(difluoromethoxy)-5-methyl-1,9,13-triazatetracyclo[10.7.0.03,8.014,19]nonadeca-3(8),4,6,12,14(19),15,17-heptaene has a molecular weight of 363.80 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 17-chloro-4-(difluoromethoxy)-5-methyl-1,9,13-triazatetracyclo[10.7.0.03,8.014,19]nonadeca-3(8),4,6,12,14(19),15,17-heptaene is sourced from PubChem (CID 178170199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).