3-(diethylamino)-N-[10-[(3,5-dimethoxyphenyl)methyl]-9-oxoacridin-2-yl]propanamide

C29H33N3O4 — CID 52942059

IUPAC3-(diethylamino)-N-[10-[(3,5-dimethoxyphenyl)methyl]-9-oxoacridin-2-yl]propanamide
SMILESCCN(CC)CCC(=O)Nc1ccc2c(c1)c(=O)c1ccccc1n2Cc1cc(OC)cc(OC)c1
InChIInChI=1S/C29H33N3O4/c1-5-31(6-2)14-13-28(33)30-21-11-12-27-25(17-21)29(34)24-9-7-8-10-26(24)32(27)19-20-15-22(35-3)18-23(16-20)36-4/h7-12,15-18H,5-6,13-14,19H2,1-4H3,(H,30,33)
InChIKeyVJNJRJYZIPHNOK-UHFFFAOYSA-N
MW487.60 g/mol
LogP4.89
Rot. Bonds10

About 3-(diethylamino)-N-[10-[(3,5-dimethoxyphenyl)methyl]-9-oxoacridin-2-yl]propanamide

3-(diethylamino)-N-[10-[(3,5-dimethoxyphenyl)methyl]-9-oxoacridin-2-yl]propanamide (PubChem CID 52942059) has the molecular formula C29H33N3O4 and a molecular weight of 487.60 g/mol. Its IUPAC name is 3-(diethylamino)-N-[10-[(3,5-dimethoxyphenyl)methyl]-9-oxoacridin-2-yl]propanamide.

Molecular Properties

Compound Name3-(diethylamino)-N-[10-[(3,5-dimethoxyphenyl)methyl]-9-oxoacridin-2-yl]propanamide
PubChem CID52942059
Molecular FormulaC29H33N3O4
Molecular Weight487.60 g/mol
Exact Mass487.25
IUPAC Name3-(diethylamino)-N-[10-[(3,5-dimethoxyphenyl)methyl]-9-oxoacridin-2-yl]propanamide
SMILESCCN(CC)CCC(=O)Nc1ccc2c(c1)c(=O)c1ccccc1n2Cc1cc(OC)cc(OC)c1
InChIInChI=1S/C29H33N3O4/c1-5-31(6-2)14-13-28(33)30-21-11-12-27-25(17-21)29(34)24-9-7-8-10-26(24)32(27)19-20-15-22(35-3)18-23(16-20)36-4/h7-12,15-18H,5-6,13-14,19H2,1-4H3,(H,30,33)
InChIKeyVJNJRJYZIPHNOK-UHFFFAOYSA-N
XLogP4.89
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2,9-Dimethoxyquinacridone
CID 100426
2-(3-Methoxy-phenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one
CID 379514
N-(4-anilinophenyl)-3,5-dimethoxybenzamide
CID 881165
3,5-dimethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 1243032
2-(3-Methoxy-phenyl)-6-morpholin-4-yl-1H-quinolin-4-one
CID 379512
6-(Dimethylamino)-2-(3-methoxyphenyl)quinolin-4(1h)-one
CID 379515
(3-Methoxy-phenyl)-((2R,4S)-2-methyl-4-phenylamino-3,4-dihydro-2H-quinolin-1-yl)-methanone
CID 1102972
10-[(3,5-Dimethoxyphenyl)methyl]acridin-9-one
CID 25141164
3-Benzyl-2-(3-methoxyphenyl)-2,3-dihydro-4(1H)-quinazolinone
CID 563542
2-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one
CID 379513
4(1H)-Quinolinone,3-dihydro-2-(3-methoxyphenyl)-6-(1-pyrrolidinyl)-
CID 395562
3,5-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide
CID 664731

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-N-[10-[(3,5-dimethoxyphenyl)methyl]-9-oxoacridin-2-yl]propanamide?
The IUPAC name of 3-(diethylamino)-N-[10-[(3,5-dimethoxyphenyl)methyl]-9-oxoacridin-2-yl]propanamide (CID 52942059) is 3-(diethylamino)-N-[10-[(3,5-dimethoxyphenyl)methyl]-9-oxoacridin-2-yl]propanamide.
What is the SMILES notation for 3-(diethylamino)-N-[10-[(3,5-dimethoxyphenyl)methyl]-9-oxoacridin-2-yl]propanamide?
The canonical SMILES for 3-(diethylamino)-N-[10-[(3,5-dimethoxyphenyl)methyl]-9-oxoacridin-2-yl]propanamide is CCN(CC)CCC(=O)Nc1ccc2c(c1)c(=O)c1ccccc1n2Cc1cc(OC)cc(OC)c1.
What is the InChIKey of 3-(diethylamino)-N-[10-[(3,5-dimethoxyphenyl)methyl]-9-oxoacridin-2-yl]propanamide?
The InChIKey is VJNJRJYZIPHNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O4/c1-5-31(6-2)14-13-28(33)30-21-11-12-27-25(17-21)29(34)24-9-7-8-10-26(24)32(27)19-20-15-22(35-3)18-23(16-20)36-4/h7-12,15-18H,5-6,13-14,19H2,1-4H3,(H,30,33).
What are the key properties of 3-(diethylamino)-N-[10-[(3,5-dimethoxyphenyl)methyl]-9-oxoacridin-2-yl]propanamide?
3-(diethylamino)-N-[10-[(3,5-dimethoxyphenyl)methyl]-9-oxoacridin-2-yl]propanamide has a molecular weight of 487.60 g/mol, XLogP of 4.89, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-N-[10-[(3,5-dimethoxyphenyl)methyl]-9-oxoacridin-2-yl]propanamide is sourced from PubChem (CID 52942059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).