1-cyclopropyl-7-[3-[1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxyquinazoline-2,4-dione;hydrochloride

C20H28ClFN4O3 — CID 140504612

IUPAC1-cyclopropyl-7-[3-[1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxyquinazoline-2,4-dione;hydrochloride
SMILESCCNC(C)C1CCN(c2c(F)cc3c(=O)[nH]c(=O)n(C4CC4)c3c2OC)C1.Cl
InChIInChI=1S/C20H27FN4O3.ClH/c1-4-22-11(2)12-7-8-24(10-12)17-15(21)9-14-16(18(17)28-3)25(13-5-6-13)20(27)23-19(14)26;/h9,11-13,22H,4-8,10H2,1-3H3,(H,23,26,27);1H
InChIKeyDOXSTMDEHFMGDL-UHFFFAOYSA-N
MW426.92 g/mol
LogP2.42
Rot. Bonds6

About 1-cyclopropyl-7-[3-[1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxyquinazoline-2,4-dione;hydrochloride

1-cyclopropyl-7-[3-[1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxyquinazoline-2,4-dione;hydrochloride (PubChem CID 140504612) has the molecular formula C20H28ClFN4O3 and a molecular weight of 426.92 g/mol. Its IUPAC name is 1-cyclopropyl-7-[3-[1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxyquinazoline-2,4-dione;hydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-7-[3-[1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxyquinazoline-2,4-dione;hydrochloride
PubChem CID140504612
Molecular FormulaC20H28ClFN4O3
Molecular Weight426.92 g/mol
Exact Mass426.18
IUPAC Name1-cyclopropyl-7-[3-[1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxyquinazoline-2,4-dione;hydrochloride
SMILESCCNC(C)C1CCN(c2c(F)cc3c(=O)[nH]c(=O)n(C4CC4)c3c2OC)C1.Cl
InChIInChI=1S/C20H27FN4O3.ClH/c1-4-22-11(2)12-7-8-24(10-12)17-15(21)9-14-16(18(17)28-3)25(13-5-6-13)20(27)23-19(14)26;/h9,11-13,22H,4-8,10H2,1-3H3,(H,23,26,27);1H
InChIKeyDOXSTMDEHFMGDL-UHFFFAOYSA-N
XLogP2.42
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.92
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-cyclopropyl-7-[3-[1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxyquinazoline-2,4-dione;hydrochloride with MolForge

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Related Compounds

1-cyclopropyl-6-fluoro-7-[3-[2-isocyanoethyl(methyl)amino]pyrrolidin-1-yl]-8-methoxyquinazoline-2,4-dione
CID 58944854
7-[3-[amino(cyclopropyl)methyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione;hydrochloride
CID 10431617
3-amino-7-[(3R)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione
CID 10199584
3-[[1-(1-cyclopropyl-6-fluoro-8-methoxy-2,4-dioxoquinazolin-7-yl)-3-methylpyrrolidin-3-yl]methylamino]propanenitrile
CID 69447195
1-cyclopropyl-6-fluoro-7-[3-(hydroxymethyl)pyrrolidin-1-yl]-8-(methoxymethyl)quinazoline-2,4-dione
CID 90926923
1-cyclopropyl-7-[3-[[ethyl(2-isocyanoethyl)amino]methyl]-3-methylpyrrolidin-1-yl]-6-fluoro-8-methoxyquinazoline-2,4-dione
CID 58944928
9-cyclopropyl-7-[3-[1-(dimethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 67444535
acetonitrile;N-[2-[1-(1-cyclopropyl-6-fluoro-8-methyl-2,4-dioxoquinazolin-7-yl)pyrrolidin-3-yl]-2-(methylamino)ethyl]acetamide
CID 143050431
[(2S)-2-amino-2-[(3R)-1-(3-amino-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dioxoquinazolin-7-yl)pyrrolidin-3-yl]ethyl]urea
CID 69073896
N-[[1-(8-chloro-1-cyclopropyl-6-fluoro-2,4-dioxoquinazolin-7-yl)pyrrolidin-3-yl]methyl]methanesulfonamide
CID 173256584
5-amino-1-cyclopropyl-7-[(3R)-3-[(1R)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 54429777
3-amino-7-[(3S)-3-[(1R)-1-amino-2-phenoxyethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione
CID 91486300

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-[3-[1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxyquinazoline-2,4-dione;hydrochloride?
The IUPAC name of 1-cyclopropyl-7-[3-[1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxyquinazoline-2,4-dione;hydrochloride (CID 140504612) is 1-cyclopropyl-7-[3-[1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxyquinazoline-2,4-dione;hydrochloride.
What is the SMILES notation for 1-cyclopropyl-7-[3-[1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxyquinazoline-2,4-dione;hydrochloride?
The canonical SMILES for 1-cyclopropyl-7-[3-[1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxyquinazoline-2,4-dione;hydrochloride is CCNC(C)C1CCN(c2c(F)cc3c(=O)[nH]c(=O)n(C4CC4)c3c2OC)C1.Cl.
What is the InChIKey of 1-cyclopropyl-7-[3-[1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxyquinazoline-2,4-dione;hydrochloride?
The InChIKey is DOXSTMDEHFMGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O3.ClH/c1-4-22-11(2)12-7-8-24(10-12)17-15(21)9-14-16(18(17)28-3)25(13-5-6-13)20(27)23-19(14)26;/h9,11-13,22H,4-8,10H2,1-3H3,(H,23,26,27);1H.
What are the key properties of 1-cyclopropyl-7-[3-[1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxyquinazoline-2,4-dione;hydrochloride?
1-cyclopropyl-7-[3-[1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxyquinazoline-2,4-dione;hydrochloride has a molecular weight of 426.92 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-[3-[1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxyquinazoline-2,4-dione;hydrochloride is sourced from PubChem (CID 140504612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).