methyl 6-[3-[methyl-[(1-methylindol-3-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate

C24H24N4O4 — CID 66905339

IUPACmethyl 6-[3-[methyl-[(1-methylindol-3-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate
SMILESCOC(=O)C1Cc2cc(C=CC(=O)N(C)Cc3cn(C)c4ccccc34)cnc2NC1=O
InChIInChI=1S/C24H24N4O4/c1-27-13-17(18-6-4-5-7-20(18)27)14-28(2)21(29)9-8-15-10-16-11-19(24(31)32-3)23(30)26-22(16)25-12-15/h4-10,12-13,19H,11,14H2,1-3H3,(H,25,26,30)
InChIKeyBIELWRCUXGLKPQ-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.53
Rot. Bonds5

About methyl 6-[3-[methyl-[(1-methylindol-3-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate

methyl 6-[3-[methyl-[(1-methylindol-3-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate (PubChem CID 66905339) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is methyl 6-[3-[methyl-[(1-methylindol-3-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-[methyl-[(1-methylindol-3-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate
PubChem CID66905339
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Namemethyl 6-[3-[methyl-[(1-methylindol-3-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate
SMILESCOC(=O)C1Cc2cc(C=CC(=O)N(C)Cc3cn(C)c4ccccc34)cnc2NC1=O
InChIInChI=1S/C24H24N4O4/c1-27-13-17(18-6-4-5-7-20(18)27)14-28(2)21(29)9-8-15-10-16-11-19(24(31)32-3)23(30)26-22(16)25-12-15/h4-10,12-13,19H,11,14H2,1-3H3,(H,25,26,30)
InChIKeyBIELWRCUXGLKPQ-UHFFFAOYSA-N
XLogP2.53
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(6-methoxy-1-methylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CID 66780319
(E)-N-[(6-methoxy-1-methylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CID 10001268
3-(6-methoxycarbonyl-7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enoic acid
CID 67154713
(E)-N-[(1-benzylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CID 10343753
3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-enamide
CID 66905357
3-[6-(benzhydrylideneamino)-7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl]-N-[(1,2-dimethylindol-3-yl)methyl]-N-methylprop-2-enamide
CID 76670733
(E)-3-(6-methoxycarbonyl-7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enoic acid;methyl 6-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate
CID 159439532
N-methyl-3-(4-methyl-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-N-(naphthalen-1-ylmethyl)prop-2-enamide
CID 66967299
(E)-N-methyl-3-[(7R)-7-(methylamino)-8-oxo-5,6,7,9-tetrahydropyrido[2,3-b]azepin-3-yl]-N-[(2-methyl-1-benzofuran-3-yl)methyl]prop-2-enamide
CID 166542066
(E)-N-methyl-3-(4-methyl-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-N-(quinolin-4-ylmethyl)prop-2-enamide
CID 10026108
(E)-N-[(2-chloro-1-methylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CID 10070056
3-(7-amino-8-oxo-5,6,7,9-tetrahydropyrido[2,3-b]azepin-3-yl)-N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]prop-2-enamide
CID 165369537

Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-[methyl-[(1-methylindol-3-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate?
The IUPAC name of methyl 6-[3-[methyl-[(1-methylindol-3-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate (CID 66905339) is methyl 6-[3-[methyl-[(1-methylindol-3-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[3-[methyl-[(1-methylindol-3-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 6-[3-[methyl-[(1-methylindol-3-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate is COC(=O)C1Cc2cc(C=CC(=O)N(C)Cc3cn(C)c4ccccc34)cnc2NC1=O.
What is the InChIKey of methyl 6-[3-[methyl-[(1-methylindol-3-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate?
The InChIKey is BIELWRCUXGLKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-27-13-17(18-6-4-5-7-20(18)27)14-28(2)21(29)9-8-15-10-16-11-19(24(31)32-3)23(30)26-22(16)25-12-15/h4-10,12-13,19H,11,14H2,1-3H3,(H,25,26,30).
What are the key properties of methyl 6-[3-[methyl-[(1-methylindol-3-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate?
methyl 6-[3-[methyl-[(1-methylindol-3-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate has a molecular weight of 432.48 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-[methyl-[(1-methylindol-3-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 66905339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).