7,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridine

C14H20N2 — CID 115007316

IUPAC7,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridine
SMILESCc1ccc2c(c1)CC1CCNCC1N2C
InChIInChI=1S/C14H20N2/c1-10-3-4-13-12(7-10)8-11-5-6-15-9-14(11)16(13)2/h3-4,7,11,14-15H,5-6,8-9H2,1-2H3
InChIKeyWKADDHPHWIXRQF-UHFFFAOYSA-N
MW216.33 g/mol
LogP1.97
Rot. Bonds

About 7,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridine

7,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridine (PubChem CID 115007316) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 7,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridine.

Molecular Properties

Compound Name7,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridine
PubChem CID115007316
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name7,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridine
SMILESCc1ccc2c(c1)CC1CCNCC1N2C
InChIInChI=1S/C14H20N2/c1-10-3-4-13-12(7-10)8-11-5-6-15-9-14(11)16(13)2/h3-4,7,11,14-15H,5-6,8-9H2,1-2H3
InChIKeyWKADDHPHWIXRQF-UHFFFAOYSA-N
XLogP1.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridine?
The IUPAC name of 7,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridine (CID 115007316) is 7,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridine.
What is the SMILES notation for 7,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridine?
The canonical SMILES for 7,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridine is Cc1ccc2c(c1)CC1CCNCC1N2C.
What is the InChIKey of 7,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridine?
The InChIKey is WKADDHPHWIXRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10-3-4-13-12(7-10)8-11-5-6-15-9-14(11)16(13)2/h3-4,7,11,14-15H,5-6,8-9H2,1-2H3.
What are the key properties of 7,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridine?
7,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridine has a molecular weight of 216.33 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridine is sourced from PubChem (CID 115007316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).