[3-(diethylamino)pyrrolidin-1-yl]-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanone

C23H32N4O — CID 154861533

IUPAC[3-(diethylamino)pyrrolidin-1-yl]-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanone
SMILESCCN1CCc2nc3ccccc3c(C(=O)N3CCC(N(CC)CC)C3)c2C1
InChIInChI=1S/C23H32N4O/c1-4-25-13-12-21-19(16-25)22(18-9-7-8-10-20(18)24-21)23(28)27-14-11-17(15-27)26(5-2)6-3/h7-10,17H,4-6,11-16H2,1-3H3
InChIKeyMSVMBRPDSRJNIW-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.17
Rot. Bonds5

About [3-(diethylamino)pyrrolidin-1-yl]-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanone

[3-(diethylamino)pyrrolidin-1-yl]-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanone (PubChem CID 154861533) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is [3-(diethylamino)pyrrolidin-1-yl]-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanone.

Molecular Properties

Compound Name[3-(diethylamino)pyrrolidin-1-yl]-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanone
PubChem CID154861533
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name[3-(diethylamino)pyrrolidin-1-yl]-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanone
SMILESCCN1CCc2nc3ccccc3c(C(=O)N3CCC(N(CC)CC)C3)c2C1
InChIInChI=1S/C23H32N4O/c1-4-25-13-12-21-19(16-25)22(18-9-7-8-10-20(18)24-21)23(28)27-14-11-17(15-27)26(5-2)6-3/h7-10,17H,4-6,11-16H2,1-3H3
InChIKeyMSVMBRPDSRJNIW-UHFFFAOYSA-N
XLogP3.17
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108742651
N-(1-adamantyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792860
2-ethyl-N-(3-methylbutyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804812
(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108736754
phenacyl 2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23999629
[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanone
CID 108743491
1'-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734552
N-(2,6-difluorophenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792780
2-ethyl-N-[1-(2-methylphenyl)ethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 18083356
N-(2-cyanophenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792712
2-ethyl-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804890
4-amino-2-[(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)amino]-4-oxobutanoic acid
CID 108804809

Frequently Asked Questions

What is the IUPAC name of [3-(diethylamino)pyrrolidin-1-yl]-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanone?
The IUPAC name of [3-(diethylamino)pyrrolidin-1-yl]-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanone (CID 154861533) is [3-(diethylamino)pyrrolidin-1-yl]-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanone.
What is the SMILES notation for [3-(diethylamino)pyrrolidin-1-yl]-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanone?
The canonical SMILES for [3-(diethylamino)pyrrolidin-1-yl]-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanone is CCN1CCc2nc3ccccc3c(C(=O)N3CCC(N(CC)CC)C3)c2C1.
What is the InChIKey of [3-(diethylamino)pyrrolidin-1-yl]-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanone?
The InChIKey is MSVMBRPDSRJNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-4-25-13-12-21-19(16-25)22(18-9-7-8-10-20(18)24-21)23(28)27-14-11-17(15-27)26(5-2)6-3/h7-10,17H,4-6,11-16H2,1-3H3.
What are the key properties of [3-(diethylamino)pyrrolidin-1-yl]-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanone?
[3-(diethylamino)pyrrolidin-1-yl]-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanone has a molecular weight of 380.54 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(diethylamino)pyrrolidin-1-yl]-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanone is sourced from PubChem (CID 154861533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).