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

C29H31N5O — CID 108742651

IUPAC(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
SMILESCCN1CCc2nc3ccccc3c(C(=O)N3CCN(c4cc(C)c5ccccc5n4)CC3)c2C1
InChIInChI=1S/C29H31N5O/c1-3-32-13-12-26-23(19-32)28(22-9-5-7-11-25(22)30-26)29(35)34-16-14-33(15-17-34)27-18-20(2)21-8-4-6-10-24(21)31-27/h4-11,18H,3,12-17,19H2,1-2H3
InChIKeySHIAKEDQPZXQOP-UHFFFAOYSA-N
MW465.60 g/mol
LogP4.43
Rot. Bonds3

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

(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone (PubChem CID 108742651) has the molecular formula C29H31N5O and a molecular weight of 465.60 g/mol. Its IUPAC name is (2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
PubChem CID108742651
Molecular FormulaC29H31N5O
Molecular Weight465.60 g/mol
Exact Mass465.25
IUPAC Name(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
SMILESCCN1CCc2nc3ccccc3c(C(=O)N3CCN(c4cc(C)c5ccccc5n4)CC3)c2C1
InChIInChI=1S/C29H31N5O/c1-3-32-13-12-26-23(19-32)28(22-9-5-7-11-25(22)30-26)29(35)34-16-14-33(15-17-34)27-18-20(2)21-8-4-6-10-24(21)31-27/h4-11,18H,3,12-17,19H2,1-2H3
InChIKeySHIAKEDQPZXQOP-UHFFFAOYSA-N
XLogP4.43
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108736754
N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108747417
[3-(diethylamino)pyrrolidin-1-yl]-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanone
CID 154861533
(2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4843684
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
(4-ethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765053
(2-bromophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765029
N-(4,5-dimethoxy-2-methylphenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 26209459
2-ethyl-N-[1-(2-methylphenyl)ethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 18083356
phenacyl 2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23999629
(2-fluorophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765021
[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

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone (CID 108742651) is (2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone is CCN1CCc2nc3ccccc3c(C(=O)N3CCN(c4cc(C)c5ccccc5n4)CC3)c2C1.
What is the InChIKey of (2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone?
The InChIKey is SHIAKEDQPZXQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O/c1-3-32-13-12-26-23(19-32)28(22-9-5-7-11-25(22)30-26)29(35)34-16-14-33(15-17-34)27-18-20(2)21-8-4-6-10-24(21)31-27/h4-11,18H,3,12-17,19H2,1-2H3.
What are the key properties of (2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone?
(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone has a molecular weight of 465.60 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 108742651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).