5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione

C24H28N4O3 — CID 52649591

IUPAC5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCCc4ccccc43)cc(C(C)C)nc21
InChIInChI=1S/C24H28N4O3/c1-14(2)13-28-21-20(22(29)26-24(28)31)17(12-18(25-21)15(3)4)23(30)27-11-7-9-16-8-5-6-10-19(16)27/h5-6,8,10,12,14-15H,7,9,11,13H2,1-4H3,(H,26,29,31)
InChIKeyLDFUQRZJSPHCDE-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.46
Rot. Bonds4

About 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione

5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 52649591) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID52649591
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCCc4ccccc43)cc(C(C)C)nc21
InChIInChI=1S/C24H28N4O3/c1-14(2)13-28-21-20(22(29)26-24(28)31)17(12-18(25-21)15(3)4)23(30)27-11-7-9-16-8-5-6-10-19(16)27/h5-6,8,10,12,14-15H,7,9,11,13H2,1-4H3,(H,26,29,31)
InChIKeyLDFUQRZJSPHCDE-UHFFFAOYSA-N
XLogP3.46
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 39322932
N-benzyl-1-(2-methylpropyl)-2,4-dioxo-N,7-di(propan-2-yl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 52714764
ethyl 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17413883
1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 39267672
6-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 47021191
1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylic acid
CID 18802061
7-propan-2-yl-1-propyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 55577543
N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55921428
N-[(2R)-2-(ethylamino)propyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 120654752
3,4-dihydro-2H-quinolin-1-yl-(6-propan-2-ylpyridazin-3-yl)methanone
CID 113200410
1-(2-methylpropyl)-N-(6-oxaspiro[4.5]decan-9-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 139009288
6-amino-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 51284663

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione (CID 52649591) is 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione is CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCCc4ccccc43)cc(C(C)C)nc21.
What is the InChIKey of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is LDFUQRZJSPHCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-14(2)13-28-21-20(22(29)26-24(28)31)17(12-18(25-21)15(3)4)23(30)27-11-7-9-16-8-5-6-10-19(16)27/h5-6,8,10,12,14-15H,7,9,11,13H2,1-4H3,(H,26,29,31).
What are the key properties of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 420.51 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 52649591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).