1-methyl-3-[(5Z,7Z)-3-methyl-9-methylidene-4H-1,3-diazonin-2-yl]-8aH-quinoline

C19H21N3 — CID 146359404

IUPAC1-methyl-3-[(5Z,7Z)-3-methyl-9-methylidene-4H-1,3-diazonin-2-yl]-8aH-quinoline
SMILESC=C1/C=C\C=C/CN(C)/C(C2=CN(C)C3C=CC=CC3=C2)=N\1
InChIInChI=1S/C19H21N3/c1-15-9-5-4-8-12-21(2)19(20-15)17-13-16-10-6-7-11-18(16)22(3)14-17/h4-11,13-14,18H,1,12H2,2-3H3/b8-4-,9-5-,20-19-
InChIKeySUUBHQLHHWNBCJ-ZWXANRMXSA-N
MW291.40 g/mol
LogP3.21
Rot. Bonds1

About 1-methyl-3-[(5Z,7Z)-3-methyl-9-methylidene-4H-1,3-diazonin-2-yl]-8aH-quinoline

1-methyl-3-[(5Z,7Z)-3-methyl-9-methylidene-4H-1,3-diazonin-2-yl]-8aH-quinoline (PubChem CID 146359404) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-methyl-3-[(5Z,7Z)-3-methyl-9-methylidene-4H-1,3-diazonin-2-yl]-8aH-quinoline.

Molecular Properties

Compound Name1-methyl-3-[(5Z,7Z)-3-methyl-9-methylidene-4H-1,3-diazonin-2-yl]-8aH-quinoline
PubChem CID146359404
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name1-methyl-3-[(5Z,7Z)-3-methyl-9-methylidene-4H-1,3-diazonin-2-yl]-8aH-quinoline
SMILESC=C1/C=C\C=C/CN(C)/C(C2=CN(C)C3C=CC=CC3=C2)=N\1
InChIInChI=1S/C19H21N3/c1-15-9-5-4-8-12-21(2)19(20-15)17-13-16-10-6-7-11-18(16)22(3)14-17/h4-11,13-14,18H,1,12H2,2-3H3/b8-4-,9-5-,20-19-
InChIKeySUUBHQLHHWNBCJ-ZWXANRMXSA-N
XLogP3.21
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(5Z,7Z)-3-methyl-9-methylidene-4H-1,3-diazonin-2-yl]-8aH-quinoline?
The IUPAC name of 1-methyl-3-[(5Z,7Z)-3-methyl-9-methylidene-4H-1,3-diazonin-2-yl]-8aH-quinoline (CID 146359404) is 1-methyl-3-[(5Z,7Z)-3-methyl-9-methylidene-4H-1,3-diazonin-2-yl]-8aH-quinoline.
What is the SMILES notation for 1-methyl-3-[(5Z,7Z)-3-methyl-9-methylidene-4H-1,3-diazonin-2-yl]-8aH-quinoline?
The canonical SMILES for 1-methyl-3-[(5Z,7Z)-3-methyl-9-methylidene-4H-1,3-diazonin-2-yl]-8aH-quinoline is C=C1/C=C\C=C/CN(C)/C(C2=CN(C)C3C=CC=CC3=C2)=N\1.
What is the InChIKey of 1-methyl-3-[(5Z,7Z)-3-methyl-9-methylidene-4H-1,3-diazonin-2-yl]-8aH-quinoline?
The InChIKey is SUUBHQLHHWNBCJ-ZWXANRMXSA-N. The full InChI is InChI=1S/C19H21N3/c1-15-9-5-4-8-12-21(2)19(20-15)17-13-16-10-6-7-11-18(16)22(3)14-17/h4-11,13-14,18H,1,12H2,2-3H3/b8-4-,9-5-,20-19-.
What are the key properties of 1-methyl-3-[(5Z,7Z)-3-methyl-9-methylidene-4H-1,3-diazonin-2-yl]-8aH-quinoline?
1-methyl-3-[(5Z,7Z)-3-methyl-9-methylidene-4H-1,3-diazonin-2-yl]-8aH-quinoline has a molecular weight of 291.40 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(5Z,7Z)-3-methyl-9-methylidene-4H-1,3-diazonin-2-yl]-8aH-quinoline is sourced from PubChem (CID 146359404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).