methyl 2-cyclopropyl-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylate

C25H32N2O5 — CID 138524007

IUPACmethyl 2-cyclopropyl-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylate
SMILESCOCCCOc1cc2c(nc1C1CC1)-c1cc(=O)c(C(=O)OC)cn1C(C)(C(C)C)C2
InChIInChI=1S/C25H32N2O5/c1-15(2)25(3)13-17-11-21(32-10-6-9-30-4)23(16-7-8-16)26-22(17)19-12-20(28)18(14-27(19)25)24(29)31-5/h11-12,14-16H,6-10,13H2,1-5H3
InChIKeyIYTLRFZRSIFOHI-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.92
Rot. Bonds8

About methyl 2-cyclopropyl-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylate

methyl 2-cyclopropyl-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylate (PubChem CID 138524007) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is methyl 2-cyclopropyl-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylate
PubChem CID138524007
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC Namemethyl 2-cyclopropyl-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylate
SMILESCOCCCOc1cc2c(nc1C1CC1)-c1cc(=O)c(C(=O)OC)cn1C(C)(C(C)C)C2
InChIInChI=1S/C25H32N2O5/c1-15(2)25(3)13-17-11-21(32-10-6-9-30-4)23(16-7-8-16)26-22(17)19-12-20(28)18(14-27(19)25)24(29)31-5/h11-12,14-16H,6-10,13H2,1-5H3
InChIKeyIYTLRFZRSIFOHI-UHFFFAOYSA-N
XLogP3.92
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 2-cyclopropyl-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 10-cyclopropyl-6-methyl-2-oxo-6-propan-2-yl-7H-benzo[a]quinolizine-3-carboxylate
CID 142415751
(10R)-10-tert-butyl-4-cyclopropyl-5-(3-methoxypropoxy)-14-oxo-8-oxa-3,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,12-pentaene-13-carboxylic acid
CID 139462243
ethyl 10-bromo-9-(cyclopropylmethoxy)-6-methyl-2-oxo-6-propan-2-yl-7H-benzo[a]quinolizine-3-carboxylate
CID 135313512
methyl (2R,6R)-10-chloro-9-(3-methoxypropoxy)-3,3-dimethyl-15-oxo-1-azatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylate
CID 158007616
methyl 1-benzyl-9-cyclopropyl-4-hydroxy-8-(3-methoxypropoxy)-2-oxo-5-propan-2-yl-5,6-dihydro-1,10-phenanthroline-3-carboxylate
CID 139490174
6-tert-butyl-2-cyclopropyl-11-hydroxy-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
CID 155045543
(6S)-2-methoxy-3-(3-methoxypropoxy)-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
CID 139462206
2-methoxy-3-(3-methoxypropoxy)-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
CID 139462144
amino 6-cyclobutyl-10-methoxy-9-(3-methoxypropoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 118285162
6-[6-cyclopropyl-3-(1-hydroxy-3,3-dimethylcyclopentyl)-5-(3-methoxypropoxy)-2-pyridinyl]-4-oxo-1H-pyridine-3-carboxylic acid
CID 167263537
N'-acetyl-2-methoxy-3-(3-methoxypropoxy)-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carbohydrazide
CID 139581886
ethyl (6S)-6-tert-butyl-2-chloro-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate
CID 138534419

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylate?
The IUPAC name of methyl 2-cyclopropyl-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylate (CID 138524007) is methyl 2-cyclopropyl-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylate.
What is the SMILES notation for methyl 2-cyclopropyl-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylate?
The canonical SMILES for methyl 2-cyclopropyl-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylate is COCCCOc1cc2c(nc1C1CC1)-c1cc(=O)c(C(=O)OC)cn1C(C)(C(C)C)C2.
What is the InChIKey of methyl 2-cyclopropyl-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylate?
The InChIKey is IYTLRFZRSIFOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-15(2)25(3)13-17-11-21(32-10-6-9-30-4)23(16-7-8-16)26-22(17)19-12-20(28)18(14-27(19)25)24(29)31-5/h11-12,14-16H,6-10,13H2,1-5H3.
What are the key properties of methyl 2-cyclopropyl-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylate?
methyl 2-cyclopropyl-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylate has a molecular weight of 440.54 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylate is sourced from PubChem (CID 138524007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).