1'-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one

C29H31N3O3 — CID 108734552

IUPAC1'-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCCN1CCc2nc3ccccc3c(C(=O)N3CCC4(CC3)CC(=O)c3cc(C)ccc3O4)c2C1
InChIInChI=1S/C29H31N3O3/c1-3-31-13-10-24-22(18-31)27(20-6-4-5-7-23(20)30-24)28(34)32-14-11-29(12-15-32)17-25(33)21-16-19(2)8-9-26(21)35-29/h4-9,16H,3,10-15,17-18H2,1-2H3
InChIKeyRLYGHGZJGHGRTJ-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.56
Rot. Bonds2

About 1'-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one

1'-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108734552) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is 1'-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108734552
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC Name1'-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCCN1CCc2nc3ccccc3c(C(=O)N3CCC4(CC3)CC(=O)c3cc(C)ccc3O4)c2C1
InChIInChI=1S/C29H31N3O3/c1-3-31-13-10-24-22(18-31)27(20-6-4-5-7-23(20)30-24)28(34)32-14-11-29(12-15-32)17-25(33)21-16-19(2)8-9-26(21)35-29/h4-9,16H,3,10-15,17-18H2,1-2H3
InChIKeyRLYGHGZJGHGRTJ-UHFFFAOYSA-N
XLogP4.56
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.56
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-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108742651
1'-butanoyl-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734528
(2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4843684
2-ethyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804826
(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108736754
[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
N-(9,10-dioxoanthracen-1-yl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792798
2-ethyl-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbohydrazide
CID 82450420
6-methyl-1'-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 46973213
N-(1-adamantyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792860
1'-benzoyl-6-bromospiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770141
phenacyl 2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23999629

Frequently Asked Questions

What is the IUPAC name of 1'-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 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) is 1'-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one is CCN1CCc2nc3ccccc3c(C(=O)N3CCC4(CC3)CC(=O)c3cc(C)ccc3O4)c2C1.
What is the InChIKey of 1'-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is RLYGHGZJGHGRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-3-31-13-10-24-22(18-31)27(20-6-4-5-7-23(20)30-24)28(34)32-14-11-29(12-15-32)17-25(33)21-16-19(2)8-9-26(21)35-29/h4-9,16H,3,10-15,17-18H2,1-2H3.
What are the key properties of 1'-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 469.59 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108734552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).