N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,6-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide

C24H31N5O3 — CID 29242290

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,6-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)N(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)c2c1
InChIInChI=1S/C24H31N5O3/c1-13(2)11-28(20-21(25)29(12-14(3)4)24(32)27-22(20)30)23(31)18-10-16(6)26-19-8-7-15(5)9-17(18)19/h7-10,13-14H,11-12,25H2,1-6H3,(H,27,30,32)
InChIKeyLSXICMRJHWYCFN-UHFFFAOYSA-N
MW437.54 g/mol
LogP3.24
Rot. Bonds6

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,6-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,6-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide (PubChem CID 29242290) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,6-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,6-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
PubChem CID29242290
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,6-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)N(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)c2c1
InChIInChI=1S/C24H31N5O3/c1-13(2)11-28(20-21(25)29(12-14(3)4)24(32)27-22(20)30)23(31)18-10-16(6)26-19-8-7-15(5)9-17(18)19/h7-10,13-14H,11-12,25H2,1-6H3,(H,27,30,32)
InChIKeyLSXICMRJHWYCFN-UHFFFAOYSA-N
XLogP3.24
TPSA114.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,6-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,6-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide (CID 29242290) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,6-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,6-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,6-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide is Cc1ccc2nc(C)cc(C(=O)N(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)c2c1.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,6-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide?
The InChIKey is LSXICMRJHWYCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-13(2)11-28(20-21(25)29(12-14(3)4)24(32)27-22(20)30)23(31)18-10-16(6)26-19-8-7-15(5)9-17(18)19/h7-10,13-14H,11-12,25H2,1-6H3,(H,27,30,32).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,6-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,6-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,6-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 29242290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).