5-(3-methoxyphenyl)-N,N-di(propan-2-yl)-5,6-dihydrobenzo[f][2,7]naphthyridine-4-carboxamide

C26H29N3O2 — CID 10093304

IUPAC5-(3-methoxyphenyl)-N,N-di(propan-2-yl)-5,6-dihydrobenzo[f][2,7]naphthyridine-4-carboxamide
SMILESCOc1cccc(C2Nc3ccccc3-c3ccnc(C(=O)N(C(C)C)C(C)C)c32)c1
InChIInChI=1S/C26H29N3O2/c1-16(2)29(17(3)4)26(30)25-23-21(13-14-27-25)20-11-6-7-12-22(20)28-24(23)18-9-8-10-19(15-18)31-5/h6-17,24,28H,1-5H3
InChIKeyFRSQRXUNOUHAEH-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.53
Rot. Bonds5

About 5-(3-methoxyphenyl)-N,N-di(propan-2-yl)-5,6-dihydrobenzo[f][2,7]naphthyridine-4-carboxamide

5-(3-methoxyphenyl)-N,N-di(propan-2-yl)-5,6-dihydrobenzo[f][2,7]naphthyridine-4-carboxamide (PubChem CID 10093304) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N,N-di(propan-2-yl)-5,6-dihydrobenzo[f][2,7]naphthyridine-4-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N,N-di(propan-2-yl)-5,6-dihydrobenzo[f][2,7]naphthyridine-4-carboxamide
PubChem CID10093304
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name5-(3-methoxyphenyl)-N,N-di(propan-2-yl)-5,6-dihydrobenzo[f][2,7]naphthyridine-4-carboxamide
SMILESCOc1cccc(C2Nc3ccccc3-c3ccnc(C(=O)N(C(C)C)C(C)C)c32)c1
InChIInChI=1S/C26H29N3O2/c1-16(2)29(17(3)4)26(30)25-23-21(13-14-27-25)20-11-6-7-12-22(20)28-24(23)18-9-8-10-19(15-18)31-5/h6-17,24,28H,1-5H3
InChIKeyFRSQRXUNOUHAEH-UHFFFAOYSA-N
XLogP5.53
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 4-(3-methoxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110842654
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 86916010
methyl 6-(3-methoxyphenyl)-4-methyl-3-(2-methylpropyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 56588729
[(1R,2R,3R,4S)-3-(3-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]-pyridin-2-ylmethanone
CID 46187280
propan-2-yl (4S)-4-(3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 958458
3-[(6S)-7,9-dimethoxy-5,6-dihydrophenanthridin-6-yl]benzonitrile
CID 134962823
(4R)-4-(3-methoxyphenyl)-6-methyl-5-propanoyl-3,4-dihydro-1H-pyrimidin-2-one
CID 134968151
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
ethyl (4S)-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 691118
5-methoxy-2-(8,13,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,4,6,10(17),11,14-heptaen-9-yl)phenol
CID 136645500
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 154794501
6-(3-methoxyphenyl)piperidine-2,4-dione
CID 83822055

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N,N-di(propan-2-yl)-5,6-dihydrobenzo[f][2,7]naphthyridine-4-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-N,N-di(propan-2-yl)-5,6-dihydrobenzo[f][2,7]naphthyridine-4-carboxamide (CID 10093304) is 5-(3-methoxyphenyl)-N,N-di(propan-2-yl)-5,6-dihydrobenzo[f][2,7]naphthyridine-4-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-N,N-di(propan-2-yl)-5,6-dihydrobenzo[f][2,7]naphthyridine-4-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-N,N-di(propan-2-yl)-5,6-dihydrobenzo[f][2,7]naphthyridine-4-carboxamide is COc1cccc(C2Nc3ccccc3-c3ccnc(C(=O)N(C(C)C)C(C)C)c32)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-N,N-di(propan-2-yl)-5,6-dihydrobenzo[f][2,7]naphthyridine-4-carboxamide?
The InChIKey is FRSQRXUNOUHAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-16(2)29(17(3)4)26(30)25-23-21(13-14-27-25)20-11-6-7-12-22(20)28-24(23)18-9-8-10-19(15-18)31-5/h6-17,24,28H,1-5H3.
What are the key properties of 5-(3-methoxyphenyl)-N,N-di(propan-2-yl)-5,6-dihydrobenzo[f][2,7]naphthyridine-4-carboxamide?
5-(3-methoxyphenyl)-N,N-di(propan-2-yl)-5,6-dihydrobenzo[f][2,7]naphthyridine-4-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N,N-di(propan-2-yl)-5,6-dihydrobenzo[f][2,7]naphthyridine-4-carboxamide is sourced from PubChem (CID 10093304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).