[1-[4-acetyl-2-(3-methylmorpholin-4-yl)-1,7-naphthyridin-8-yl]-3-iminoprop-1-enyl]-(oxan-2-yl)azanium

C23H30N5O3+ — CID 148903429

IUPAC[1-[4-acetyl-2-(3-methylmorpholin-4-yl)-1,7-naphthyridin-8-yl]-3-iminoprop-1-enyl]-(oxan-2-yl)azanium
SMILES[H]/N=C/C=C([NH2+]C1CCCCO1)c1nccc2c(C(C)=O)cc(N3CCOCC3C)nc12
InChIInChI=1S/C23H29N5O3/c1-15-14-30-12-10-28(15)20-13-18(16(2)29)17-7-9-25-23(22(17)27-20)19(6-8-24)26-21-5-3-4-11-31-21/h6-9,13,15,21,24,26H,3-5,10-12,14H2,1-2H3/p+1/b19-6?,24-8+
InChIKeyPHFRQHZUSGCSDA-WFLSTHEKSA-O
MW424.53 g/mol
LogP2.14
Rot. Bonds6

About [1-[4-acetyl-2-(3-methylmorpholin-4-yl)-1,7-naphthyridin-8-yl]-3-iminoprop-1-enyl]-(oxan-2-yl)azanium

[1-[4-acetyl-2-(3-methylmorpholin-4-yl)-1,7-naphthyridin-8-yl]-3-iminoprop-1-enyl]-(oxan-2-yl)azanium (PubChem CID 148903429) has the molecular formula C23H30N5O3+ and a molecular weight of 424.53 g/mol. Its IUPAC name is [1-[4-acetyl-2-(3-methylmorpholin-4-yl)-1,7-naphthyridin-8-yl]-3-iminoprop-1-enyl]-(oxan-2-yl)azanium.

Molecular Properties

Compound Name[1-[4-acetyl-2-(3-methylmorpholin-4-yl)-1,7-naphthyridin-8-yl]-3-iminoprop-1-enyl]-(oxan-2-yl)azanium
PubChem CID148903429
Molecular FormulaC23H30N5O3+
Molecular Weight424.53 g/mol
Exact Mass424.23
IUPAC Name[1-[4-acetyl-2-(3-methylmorpholin-4-yl)-1,7-naphthyridin-8-yl]-3-iminoprop-1-enyl]-(oxan-2-yl)azanium
SMILES[H]/N=C/C=C([NH2+]C1CCCCO1)c1nccc2c(C(C)=O)cc(N3CCOCC3C)nc12
InChIInChI=1S/C23H29N5O3/c1-15-14-30-12-10-28(15)20-13-18(16(2)29)17-7-9-25-23(22(17)27-20)19(6-8-24)26-21-5-3-4-11-31-21/h6-9,13,15,21,24,26H,3-5,10-12,14H2,1-2H3/p+1/b19-6?,24-8+
InChIKeyPHFRQHZUSGCSDA-WFLSTHEKSA-O
XLogP2.14
TPSA105.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[4-acetyl-2-(3-methylmorpholin-4-yl)-1,7-naphthyridin-8-yl]-3-iminoprop-1-enyl]-(oxan-2-yl)azanium?
The IUPAC name of [1-[4-acetyl-2-(3-methylmorpholin-4-yl)-1,7-naphthyridin-8-yl]-3-iminoprop-1-enyl]-(oxan-2-yl)azanium (CID 148903429) is [1-[4-acetyl-2-(3-methylmorpholin-4-yl)-1,7-naphthyridin-8-yl]-3-iminoprop-1-enyl]-(oxan-2-yl)azanium.
What is the SMILES notation for [1-[4-acetyl-2-(3-methylmorpholin-4-yl)-1,7-naphthyridin-8-yl]-3-iminoprop-1-enyl]-(oxan-2-yl)azanium?
The canonical SMILES for [1-[4-acetyl-2-(3-methylmorpholin-4-yl)-1,7-naphthyridin-8-yl]-3-iminoprop-1-enyl]-(oxan-2-yl)azanium is [H]/N=C/C=C([NH2+]C1CCCCO1)c1nccc2c(C(C)=O)cc(N3CCOCC3C)nc12.
What is the InChIKey of [1-[4-acetyl-2-(3-methylmorpholin-4-yl)-1,7-naphthyridin-8-yl]-3-iminoprop-1-enyl]-(oxan-2-yl)azanium?
The InChIKey is PHFRQHZUSGCSDA-WFLSTHEKSA-O. The full InChI is InChI=1S/C23H29N5O3/c1-15-14-30-12-10-28(15)20-13-18(16(2)29)17-7-9-25-23(22(17)27-20)19(6-8-24)26-21-5-3-4-11-31-21/h6-9,13,15,21,24,26H,3-5,10-12,14H2,1-2H3/p+1/b19-6?,24-8+.
What are the key properties of [1-[4-acetyl-2-(3-methylmorpholin-4-yl)-1,7-naphthyridin-8-yl]-3-iminoprop-1-enyl]-(oxan-2-yl)azanium?
[1-[4-acetyl-2-(3-methylmorpholin-4-yl)-1,7-naphthyridin-8-yl]-3-iminoprop-1-enyl]-(oxan-2-yl)azanium has a molecular weight of 424.53 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-acetyl-2-(3-methylmorpholin-4-yl)-1,7-naphthyridin-8-yl]-3-iminoprop-1-enyl]-(oxan-2-yl)azanium is sourced from PubChem (CID 148903429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).