7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-5-cyclopropyl-8-fluoro-6-methyl-3H-cyclopenta[c]quinolin-4-one

C23H28FN3O — CID 129192507

IUPAC7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-5-cyclopropyl-8-fluoro-6-methyl-3H-cyclopenta[c]quinolin-4-one
SMILESCc1c(N2CCC(C(C)(C)N)C2)c(F)cc2c3c(c(=O)n(C4CC4)c12)CC=C3
InChIInChI=1S/C23H28FN3O/c1-13-20-18(16-5-4-6-17(16)22(28)27(20)15-7-8-15)11-19(24)21(13)26-10-9-14(12-26)23(2,3)25/h4-5,11,14-15H,6-10,12,25H2,1-3H3
InChIKeyDNTJUCQIXOETSY-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.92
Rot. Bonds3

About 7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-5-cyclopropyl-8-fluoro-6-methyl-3H-cyclopenta[c]quinolin-4-one

7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-5-cyclopropyl-8-fluoro-6-methyl-3H-cyclopenta[c]quinolin-4-one (PubChem CID 129192507) has the molecular formula C23H28FN3O and a molecular weight of 381.50 g/mol. Its IUPAC name is 7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-5-cyclopropyl-8-fluoro-6-methyl-3H-cyclopenta[c]quinolin-4-one.

Molecular Properties

Compound Name7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-5-cyclopropyl-8-fluoro-6-methyl-3H-cyclopenta[c]quinolin-4-one
PubChem CID129192507
Molecular FormulaC23H28FN3O
Molecular Weight381.50 g/mol
Exact Mass381.22
IUPAC Name7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-5-cyclopropyl-8-fluoro-6-methyl-3H-cyclopenta[c]quinolin-4-one
SMILESCc1c(N2CCC(C(C)(C)N)C2)c(F)cc2c3c(c(=O)n(C4CC4)c12)CC=C3
InChIInChI=1S/C23H28FN3O/c1-13-20-18(16-5-4-6-17(16)22(28)27(20)15-7-8-15)11-19(24)21(13)26-10-9-14(12-26)23(2,3)25/h4-5,11,14-15H,6-10,12,25H2,1-3H3
InChIKeyDNTJUCQIXOETSY-UHFFFAOYSA-N
XLogP3.92
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-amino-1-cyclopropyl-6-fluoro-8-methyl-2,4-dioxoquinazolin-7-yl)pyrrolidine-3-carboxylic acid
CID 10140407
7-[(3R)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-9-cyclopropyl-8-(difluoromethoxy)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 24959485
7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione
CID 10023582
7-[3-[amino(cyclopropyl)methyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione;hydrochloride
CID 10431617
tert-butyl N-[(1S)-1-[(3R)-1-(1-cyclopropyl-6-fluoro-4-hydroxy-3,8-dimethyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]ethyl]carbamate
CID 130287826
acetonitrile;3-amino-1-cyclopropyl-7-(3-ethylpyrrolidin-1-yl)-6-fluoro-8-methylquinazoline-2,4-dione
CID 143050424
7-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one
CID 139710691
tert-butyl N-[(1R)-1-[1-(3-amino-1-cyclopropyl-6-fluoro-8-methyl-2,4-dioxoquinazolin-7-yl)pyrrolidin-3-yl]ethyl]carbamate
CID 69074390
tert-butyl N-[1-[1-(3-amino-1-cyclopropyl-6-fluoro-8-methyl-2,4-dioxoquinazolin-7-yl)pyrrolidin-3-yl]-2-cyanoethyl]carbamate
CID 69449387
7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride
CID 66742002
7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid
CID 118864696
[1-(1-cyclopropyl-6-fluoro-4-hydroxy-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methylcarbamic acid
CID 118864704

Frequently Asked Questions

What is the IUPAC name of 7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-5-cyclopropyl-8-fluoro-6-methyl-3H-cyclopenta[c]quinolin-4-one?
The IUPAC name of 7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-5-cyclopropyl-8-fluoro-6-methyl-3H-cyclopenta[c]quinolin-4-one (CID 129192507) is 7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-5-cyclopropyl-8-fluoro-6-methyl-3H-cyclopenta[c]quinolin-4-one.
What is the SMILES notation for 7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-5-cyclopropyl-8-fluoro-6-methyl-3H-cyclopenta[c]quinolin-4-one?
The canonical SMILES for 7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-5-cyclopropyl-8-fluoro-6-methyl-3H-cyclopenta[c]quinolin-4-one is Cc1c(N2CCC(C(C)(C)N)C2)c(F)cc2c3c(c(=O)n(C4CC4)c12)CC=C3.
What is the InChIKey of 7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-5-cyclopropyl-8-fluoro-6-methyl-3H-cyclopenta[c]quinolin-4-one?
The InChIKey is DNTJUCQIXOETSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O/c1-13-20-18(16-5-4-6-17(16)22(28)27(20)15-7-8-15)11-19(24)21(13)26-10-9-14(12-26)23(2,3)25/h4-5,11,14-15H,6-10,12,25H2,1-3H3.
What are the key properties of 7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-5-cyclopropyl-8-fluoro-6-methyl-3H-cyclopenta[c]quinolin-4-one?
7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-5-cyclopropyl-8-fluoro-6-methyl-3H-cyclopenta[c]quinolin-4-one has a molecular weight of 381.50 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-5-cyclopropyl-8-fluoro-6-methyl-3H-cyclopenta[c]quinolin-4-one is sourced from PubChem (CID 129192507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).