N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide

C24H35N5O3 — CID 41079630

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
SMILESCCCCN(C(=O)CN1c2ccccc2CC[C@@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C24H35N5O3/c1-5-6-13-27(21-22(25)29(14-16(2)3)24(32)26-23(21)31)20(30)15-28-17(4)11-12-18-9-7-8-10-19(18)28/h7-10,16-17H,5-6,11-15,25H2,1-4H3,(H,26,31,32)/t17-/m0/s1
InChIKeyLQZJSCWYBUHZTH-KRWDZBQOSA-N
MW441.58 g/mol
LogP2.75
Rot. Bonds8

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide (PubChem CID 41079630) has the molecular formula C24H35N5O3 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
PubChem CID41079630
Molecular FormulaC24H35N5O3
Molecular Weight441.58 g/mol
Exact Mass441.27
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
SMILESCCCCN(C(=O)CN1c2ccccc2CC[C@@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C24H35N5O3/c1-5-6-13-27(21-22(25)29(14-16(2)3)24(32)26-23(21)31)20(30)15-28-17(4)11-12-18-9-7-8-10-19(18)28/h7-10,16-17H,5-6,11-15,25H2,1-4H3,(H,26,31,32)/t17-/m0/s1
InChIKeyLQZJSCWYBUHZTH-KRWDZBQOSA-N
XLogP2.75
TPSA104.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,3-dihydroindol-1-yl)acetamide
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N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2655260
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-phenylacetamide
CID 4825571
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 2682212
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 26211171
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CID 55639219
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[cyclohexyl(methyl)amino]acetamide
CID 4818322
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-(2-chlorophenyl)propanamide
CID 31492440
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CID 42999301
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[cyclohexylmethyl(methyl)amino]acetamide
CID 36648831
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylnaphthalene-2-carboxamide
CID 26211447

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide (CID 41079630) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide is CCCCN(C(=O)CN1c2ccccc2CC[C@@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide?
The InChIKey is LQZJSCWYBUHZTH-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H35N5O3/c1-5-6-13-27(21-22(25)29(14-16(2)3)24(32)26-23(21)31)20(30)15-28-17(4)11-12-18-9-7-8-10-19(18)28/h7-10,16-17H,5-6,11-15,25H2,1-4H3,(H,26,31,32)/t17-/m0/s1.
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide has a molecular weight of 441.58 g/mol, XLogP of 2.75, 8 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]-N-butyl-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide is sourced from PubChem (CID 41079630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).