1-ethyl-6-[[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]amino]-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one

C25H30N4O3 — CID 121381097

IUPAC1-ethyl-6-[[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]amino]-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one
SMILESC=C1/C=C\C=C/CCC(Nc2ccc3c(n2)c(=O)c(C(=O)N2CCOCC2)cn3CC)C1
InChIInChI=1S/C25H30N4O3/c1-3-28-17-20(25(31)29-12-14-32-15-13-29)24(30)23-21(28)10-11-22(27-23)26-19-9-7-5-4-6-8-18(2)16-19/h4-6,8,10-11,17,19H,2-3,7,9,12-16H2,1H3,(H,26,27)/b5-4-,8-6-
InChIKeyPLQAIDXMVFWSIJ-NADLECRISA-N
MW434.54 g/mol
LogP3.52
Rot. Bonds4

About 1-ethyl-6-[[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]amino]-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one

1-ethyl-6-[[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]amino]-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one (PubChem CID 121381097) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-ethyl-6-[[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]amino]-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one.

Molecular Properties

Compound Name1-ethyl-6-[[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]amino]-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one
PubChem CID121381097
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name1-ethyl-6-[[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]amino]-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one
SMILESC=C1/C=C\C=C/CCC(Nc2ccc3c(n2)c(=O)c(C(=O)N2CCOCC2)cn3CC)C1
InChIInChI=1S/C25H30N4O3/c1-3-28-17-20(25(31)29-12-14-32-15-13-29)24(30)23-21(28)10-11-22(27-23)26-19-9-7-5-4-6-8-18(2)16-19/h4-6,8,10-11,17,19H,2-3,7,9,12-16H2,1H3,(H,26,27)/b5-4-,8-6-
InChIKeyPLQAIDXMVFWSIJ-NADLECRISA-N
XLogP3.52
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-6-[[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]amino]-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one with MolForge

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Related Compounds

6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one
CID 149335829
1-ethyl-6-methyl-3-(morpholine-4-carbonyl)-1,7-naphthyridin-4-one
CID 143657497
6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(piperidine-1-carbonyl)-1,5-naphthyridin-4-one
CID 158652271
6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-one
CID 24772165
1-ethyl-N,N-dimethyl-3-(morpholine-4-carbonyl)-4-oxoquinoline-6-sulfonamide
CID 5309747
[6-(ethylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 62239087
2-[7-methyl-3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]-N-phenylacetamide
CID 53087177
1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid
CID 141190200
[6-(cyclohexylamino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109112814
(4R)-1-(2,2-dimethylpropyl)-4-[[6-(morpholine-4-carbonyl)pyrazin-2-yl]amino]pyrrolidin-2-one
CID 95713753
6-fluoro-1-methyl-3-(morpholine-4-carbonyl)quinolin-4-one
CID 30133338
[1-[(4-cyclohexylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone
CID 177244844

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-[[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]amino]-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one?
The IUPAC name of 1-ethyl-6-[[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]amino]-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one (CID 121381097) is 1-ethyl-6-[[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]amino]-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one.
What is the SMILES notation for 1-ethyl-6-[[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]amino]-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one?
The canonical SMILES for 1-ethyl-6-[[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]amino]-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one is C=C1/C=C\C=C/CCC(Nc2ccc3c(n2)c(=O)c(C(=O)N2CCOCC2)cn3CC)C1.
What is the InChIKey of 1-ethyl-6-[[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]amino]-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one?
The InChIKey is PLQAIDXMVFWSIJ-NADLECRISA-N. The full InChI is InChI=1S/C25H30N4O3/c1-3-28-17-20(25(31)29-12-14-32-15-13-29)24(30)23-21(28)10-11-22(27-23)26-19-9-7-5-4-6-8-18(2)16-19/h4-6,8,10-11,17,19H,2-3,7,9,12-16H2,1H3,(H,26,27)/b5-4-,8-6-.
What are the key properties of 1-ethyl-6-[[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]amino]-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one?
1-ethyl-6-[[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]amino]-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one has a molecular weight of 434.54 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-[[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]amino]-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one is sourced from PubChem (CID 121381097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).