N-formyl-4-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]pentanamide

C29H31N3O4 — CID 170097464

IUPACN-formyl-4-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]pentanamide
SMILESCC(CCC(=O)NC=O)N1C(=O)c2cccc3c(Cc4ccc(CN5CCOCC5)cc4)ccc1c23
InChIInChI=1S/C29H31N3O4/c1-20(5-12-27(34)30-19-33)32-26-11-10-23(24-3-2-4-25(28(24)26)29(32)35)17-21-6-8-22(9-7-21)18-31-13-15-36-16-14-31/h2-4,6-11,19-20H,5,12-18H2,1H3,(H,30,33,34)
InChIKeyYMTVMDLXSHLEBD-UHFFFAOYSA-N
MW485.58 g/mol
LogP3.66
Rot. Bonds9

About N-formyl-4-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]pentanamide

N-formyl-4-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]pentanamide (PubChem CID 170097464) has the molecular formula C29H31N3O4 and a molecular weight of 485.58 g/mol. Its IUPAC name is N-formyl-4-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]pentanamide.

Molecular Properties

Compound NameN-formyl-4-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]pentanamide
PubChem CID170097464
Molecular FormulaC29H31N3O4
Molecular Weight485.58 g/mol
Exact Mass485.23
IUPAC NameN-formyl-4-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]pentanamide
SMILESCC(CCC(=O)NC=O)N1C(=O)c2cccc3c(Cc4ccc(CN5CCOCC5)cc4)ccc1c23
InChIInChI=1S/C29H31N3O4/c1-20(5-12-27(34)30-19-33)32-26-11-10-23(24-3-2-4-25(28(24)26)29(32)35)17-21-6-8-22(9-7-21)18-31-13-15-36-16-14-31/h2-4,6-11,19-20H,5,12-18H2,1H3,(H,30,33,34)
InChIKeyYMTVMDLXSHLEBD-UHFFFAOYSA-N
XLogP3.66
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[6-[[4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]-N-formylpentanamide
CID 155207725
N-formyl-4-[7-[1-[(3-morpholin-4-ylsulfanylphenyl)methyl]piperidin-4-yl]-3-oxo-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-2-yl]pentanamide
CID 163258925
5-amino-5-oxo-2-[2-oxo-6-[(4-propan-2-ylphenyl)methyl]benzo[cd]indol-1-yl]pentanoic acid;morpholine
CID 162727086
[1-[2-(5-formamido-5-oxopentan-2-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]cyclopropyl] formate
CID 155207775
(3R)-3-deuterio-3-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 164836481
(3S)-3-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-sulfanylidenebenzo[cd]indol-1-yl]-6-sulfanylidenepiperidin-2-one
CID 177335272
ethane;4-(5-ethyl-1,3-dioxobenzo[de]isoquinolin-2-yl)-N-formylpentanamide
CID 156802752
N-formyl-4-[9-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]pentanamide
CID 155710364
4-[4-[2-[[4-(aminomethyl)phenyl]methylamino]-2-oxoethoxy]-1,3-dioxoisoindol-2-yl]-N-formylpentanamide;buta-1,3-diene
CID 145256263
N-formyl-4-(3-methyl-4-methylidene-2-oxoindol-1-yl)pentanamide
CID 167469919
1-(3-deuterio-6-methylidene-2-oxopiperidin-3-yl)-6-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methyl]benzo[cd]indol-2-one
CID 167571155
(3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide
CID 26008683

Frequently Asked Questions

What is the IUPAC name of N-formyl-4-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]pentanamide?
The IUPAC name of N-formyl-4-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]pentanamide (CID 170097464) is N-formyl-4-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]pentanamide.
What is the SMILES notation for N-formyl-4-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]pentanamide?
The canonical SMILES for N-formyl-4-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]pentanamide is CC(CCC(=O)NC=O)N1C(=O)c2cccc3c(Cc4ccc(CN5CCOCC5)cc4)ccc1c23.
What is the InChIKey of N-formyl-4-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]pentanamide?
The InChIKey is YMTVMDLXSHLEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O4/c1-20(5-12-27(34)30-19-33)32-26-11-10-23(24-3-2-4-25(28(24)26)29(32)35)17-21-6-8-22(9-7-21)18-31-13-15-36-16-14-31/h2-4,6-11,19-20H,5,12-18H2,1H3,(H,30,33,34).
What are the key properties of N-formyl-4-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]pentanamide?
N-formyl-4-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]pentanamide has a molecular weight of 485.58 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-4-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]pentanamide is sourced from PubChem (CID 170097464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).