N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide

C25H31N5O3 — CID 20864076

IUPACN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
SMILESCc1nc2c(c(C)c1CCC(=O)NCCN1CCCc3ccccc31)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C25H31N5O3/c1-16-19(17(2)27-23-22(16)24(32)29(4)25(33)28(23)3)11-12-21(31)26-13-15-30-14-7-9-18-8-5-6-10-20(18)30/h5-6,8,10H,7,9,11-15H2,1-4H3,(H,26,31)
InChIKeyIZSKRNOQDAAUOC-UHFFFAOYSA-N
MW449.56 g/mol
LogP1.75
Rot. Bonds6

About N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide

N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide (PubChem CID 20864076) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
PubChem CID20864076
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
SMILESCc1nc2c(c(C)c1CCC(=O)NCCN1CCCc3ccccc31)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C25H31N5O3/c1-16-19(17(2)27-23-22(16)24(32)29(4)25(33)28(23)3)11-12-21(31)26-13-15-30-14-7-9-18-8-5-6-10-20(18)30/h5-6,8,10H,7,9,11-15H2,1-4H3,(H,26,31)
InChIKeyIZSKRNOQDAAUOC-UHFFFAOYSA-N
XLogP1.75
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide with MolForge

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Related Compounds

N-(2-pyrrolidin-1-ylethyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 20864041
N-cycloheptyl-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 20864025
N-(3,4-dimethylphenyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 20864152
N-(3-fluoro-4-methylphenyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 20864146
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-(5-methyltetrazol-1-yl)acetamide
CID 56869134
1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(2-methylphenyl)urea
CID 23607928
tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate
CID 112757446
3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 109024981
3-(3,4-dichlorophenyl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]propanamide
CID 110301281
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 131906533
N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-phenylpentanamide
CID 110301318
N-(3-phenylpropyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 6625439

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide?
The IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide (CID 20864076) is N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide is Cc1nc2c(c(C)c1CCC(=O)NCCN1CCCc3ccccc31)c(=O)n(C)c(=O)n2C.
What is the InChIKey of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide?
The InChIKey is IZSKRNOQDAAUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-16-19(17(2)27-23-22(16)24(32)29(4)25(33)28(23)3)11-12-21(31)26-13-15-30-14-7-9-18-8-5-6-10-20(18)30/h5-6,8,10H,7,9,11-15H2,1-4H3,(H,26,31).
What are the key properties of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide?
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide has a molecular weight of 449.56 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 20864076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).