ethyl 2-[[2-[1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoro-2,4-dioxoquinazolin-3-yl]acetyl]-methylamino]acetate

C24H31FN4O5 — CID 59311248

IUPACethyl 2-[[2-[1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoro-2,4-dioxoquinazolin-3-yl]acetyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)Cn1c(=O)c2cc(F)c(NCC3CC3)cc2n(C2CCCC2)c1=O
InChIInChI=1S/C24H31FN4O5/c1-3-34-22(31)14-27(2)21(30)13-28-23(32)17-10-18(25)19(26-12-15-8-9-15)11-20(17)29(24(28)33)16-6-4-5-7-16/h10-11,15-16,26H,3-9,12-14H2,1-2H3
InChIKeyFNIQFGCDSUFXET-UHFFFAOYSA-N
MW474.53 g/mol
LogP2.26
Rot. Bonds9

About ethyl 2-[[2-[1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoro-2,4-dioxoquinazolin-3-yl]acetyl]-methylamino]acetate

ethyl 2-[[2-[1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoro-2,4-dioxoquinazolin-3-yl]acetyl]-methylamino]acetate (PubChem CID 59311248) has the molecular formula C24H31FN4O5 and a molecular weight of 474.53 g/mol. Its IUPAC name is ethyl 2-[[2-[1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoro-2,4-dioxoquinazolin-3-yl]acetyl]-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoro-2,4-dioxoquinazolin-3-yl]acetyl]-methylamino]acetate
PubChem CID59311248
Molecular FormulaC24H31FN4O5
Molecular Weight474.53 g/mol
Exact Mass474.23
IUPAC Nameethyl 2-[[2-[1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoro-2,4-dioxoquinazolin-3-yl]acetyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)Cn1c(=O)c2cc(F)c(NCC3CC3)cc2n(C2CCCC2)c1=O
InChIInChI=1S/C24H31FN4O5/c1-3-34-22(31)14-27(2)21(30)13-28-23(32)17-10-18(25)19(26-12-15-8-9-15)11-20(17)29(24(28)33)16-6-4-5-7-16/h10-11,15-16,26H,3-9,12-14H2,1-2H3
InChIKeyFNIQFGCDSUFXET-UHFFFAOYSA-N
XLogP2.26
TPSA102.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[2-[1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoro-2,4-dioxoquinazolin-3-yl]acetyl]-methylamino]acetate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoro-2,4-dioxoquinazolin-3-yl]acetate
CID 59311286
ethyl 2-[2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]ethylamino]acetate
CID 59311158
ethyl 4-(1-cyclopentyl-6,7-difluoro-2,4-dioxoquinazolin-3-yl)but-2-enoate
CID 91455750
ethyl (E)-4-(1-cyclopentyl-6,7-difluoro-2,4-dioxoquinazolin-3-yl)but-2-enoate
CID 59311125
ethyl 4-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]-2-methoxybutanoate
CID 59311209
5-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]-3,3-dimethyl-4-oxopentanoic acid
CID 59311163
3-acetyl-1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoroquinolin-4-one
CID 143677029
7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-(4-hydroxybutyl)quinazoline-2,4-dione
CID 59311303
4-[7-(cyclopropylmethylamino)-6-fluoro-2,4-dioxo-1-pentan-3-ylquinazolin-3-yl]butanoic acid
CID 59311297
2-[2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]ethyl-methylsulfanylcarbothioylamino]acetic acid
CID 59311097
[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl] 3,3-dimethylbutaneperoxoate
CID 91115110
2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]oxyacetic acid
CID 25028694

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoro-2,4-dioxoquinazolin-3-yl]acetyl]-methylamino]acetate?
The IUPAC name of ethyl 2-[[2-[1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoro-2,4-dioxoquinazolin-3-yl]acetyl]-methylamino]acetate (CID 59311248) is ethyl 2-[[2-[1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoro-2,4-dioxoquinazolin-3-yl]acetyl]-methylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-[1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoro-2,4-dioxoquinazolin-3-yl]acetyl]-methylamino]acetate?
The canonical SMILES for ethyl 2-[[2-[1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoro-2,4-dioxoquinazolin-3-yl]acetyl]-methylamino]acetate is CCOC(=O)CN(C)C(=O)Cn1c(=O)c2cc(F)c(NCC3CC3)cc2n(C2CCCC2)c1=O.
What is the InChIKey of ethyl 2-[[2-[1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoro-2,4-dioxoquinazolin-3-yl]acetyl]-methylamino]acetate?
The InChIKey is FNIQFGCDSUFXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O5/c1-3-34-22(31)14-27(2)21(30)13-28-23(32)17-10-18(25)19(26-12-15-8-9-15)11-20(17)29(24(28)33)16-6-4-5-7-16/h10-11,15-16,26H,3-9,12-14H2,1-2H3.
What are the key properties of ethyl 2-[[2-[1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoro-2,4-dioxoquinazolin-3-yl]acetyl]-methylamino]acetate?
ethyl 2-[[2-[1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoro-2,4-dioxoquinazolin-3-yl]acetyl]-methylamino]acetate has a molecular weight of 474.53 g/mol, XLogP of 2.26, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoro-2,4-dioxoquinazolin-3-yl]acetyl]-methylamino]acetate is sourced from PubChem (CID 59311248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).