3-amino-N-[(2E,4E,6Z)-5-(9-cyclopropyl-6-fluoro-3,4-dioxo-[1,2]thiazolo[5,4-b]quinolin-7-yl)octa-2,4,6-trien-2-yl]propanamide

C24H25FN4O3S — CID 143007695

IUPAC3-amino-N-[(2E,4E,6Z)-5-(9-cyclopropyl-6-fluoro-3,4-dioxo-[1,2]thiazolo[5,4-b]quinolin-7-yl)octa-2,4,6-trien-2-yl]propanamide
SMILESC/C=C\C(=C/C=C(\C)NC(=O)CCN)c1cc2c(cc1F)c(=O)c1c(=O)[nH]sc1n2C1CC1
InChIInChI=1S/C24H25FN4O3S/c1-3-4-14(6-5-13(2)27-20(30)9-10-26)16-12-19-17(11-18(16)25)22(31)21-23(32)28-33-24(21)29(19)15-7-8-15/h3-6,11-12,15H,7-10,26H2,1-2H3,(H,27,30)(H,28,32)/b4-3-,13-5+,14-6+
InChIKeyRQVPOLLXGGFPPP-RXYHCORFSA-N
MW468.55 g/mol
LogP3.71
Rot. Bonds7

About 3-amino-N-[(2E,4E,6Z)-5-(9-cyclopropyl-6-fluoro-3,4-dioxo-[1,2]thiazolo[5,4-b]quinolin-7-yl)octa-2,4,6-trien-2-yl]propanamide

3-amino-N-[(2E,4E,6Z)-5-(9-cyclopropyl-6-fluoro-3,4-dioxo-[1,2]thiazolo[5,4-b]quinolin-7-yl)octa-2,4,6-trien-2-yl]propanamide (PubChem CID 143007695) has the molecular formula C24H25FN4O3S and a molecular weight of 468.55 g/mol. Its IUPAC name is 3-amino-N-[(2E,4E,6Z)-5-(9-cyclopropyl-6-fluoro-3,4-dioxo-[1,2]thiazolo[5,4-b]quinolin-7-yl)octa-2,4,6-trien-2-yl]propanamide.

Molecular Properties

Compound Name3-amino-N-[(2E,4E,6Z)-5-(9-cyclopropyl-6-fluoro-3,4-dioxo-[1,2]thiazolo[5,4-b]quinolin-7-yl)octa-2,4,6-trien-2-yl]propanamide
PubChem CID143007695
Molecular FormulaC24H25FN4O3S
Molecular Weight468.55 g/mol
Exact Mass468.16
IUPAC Name3-amino-N-[(2E,4E,6Z)-5-(9-cyclopropyl-6-fluoro-3,4-dioxo-[1,2]thiazolo[5,4-b]quinolin-7-yl)octa-2,4,6-trien-2-yl]propanamide
SMILESC/C=C\C(=C/C=C(\C)NC(=O)CCN)c1cc2c(cc1F)c(=O)c1c(=O)[nH]sc1n2C1CC1
InChIInChI=1S/C24H25FN4O3S/c1-3-4-14(6-5-13(2)27-20(30)9-10-26)16-12-19-17(11-18(16)25)22(31)21-23(32)28-33-24(21)29(19)15-7-8-15/h3-6,11-12,15H,7-10,26H2,1-2H3,(H,27,30)(H,28,32)/b4-3-,13-5+,14-6+
InChIKeyRQVPOLLXGGFPPP-RXYHCORFSA-N
XLogP3.71
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 3-amino-N-[(2E,4E,6Z)-5-(9-cyclopropyl-6-fluoro-3,4-dioxo-[1,2]thiazolo[5,4-b]quinolin-7-yl)octa-2,4,6-trien-2-yl]propanamide with MolForge

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Related Compounds

9-cyclopropyl-6-fluoro-7-(2-phenylacetyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 58426901
9-cyclopropyl-6,7-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 14668979
7-[4-(2-amino-3-hydroxypropyl)phenyl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 58426840
7-[3-(aminomethyl)-4-(methoxyamino)-2,3-dihydropyrrol-1-yl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 91495941
9-cyclopropyl-7-(diazepin-1-yl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 19981974
9-cyclopropyl-6-fluoro-7-(4-methoxyiminopiperidin-1-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 11589452
N-[1-(9-cyclopropyl-6-fluoro-3,4-dioxo-[1,2]thiazolo[5,4-b]quinolin-7-yl)azetidin-3-yl]-N-ethyl-2,2,2-trifluoroacetamide
CID 10389972
N-[1-(9-cyclopropyl-6-fluoro-3,4-dioxo-[1,2]thiazolo[5,4-b]quinolin-7-yl)azetidin-3-yl]-2,2,2-trifluoro-N-methylacetamide
CID 10027065
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
9-cyclopropyl-6-fluoro-7-(2-methoxy-4-methylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 58426801
7-[3-(aminomethyl)-4-phenylmethoxyiminopyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 91070208
7-amino-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione
CID 70849221

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2E,4E,6Z)-5-(9-cyclopropyl-6-fluoro-3,4-dioxo-[1,2]thiazolo[5,4-b]quinolin-7-yl)octa-2,4,6-trien-2-yl]propanamide?
The IUPAC name of 3-amino-N-[(2E,4E,6Z)-5-(9-cyclopropyl-6-fluoro-3,4-dioxo-[1,2]thiazolo[5,4-b]quinolin-7-yl)octa-2,4,6-trien-2-yl]propanamide (CID 143007695) is 3-amino-N-[(2E,4E,6Z)-5-(9-cyclopropyl-6-fluoro-3,4-dioxo-[1,2]thiazolo[5,4-b]quinolin-7-yl)octa-2,4,6-trien-2-yl]propanamide.
What is the SMILES notation for 3-amino-N-[(2E,4E,6Z)-5-(9-cyclopropyl-6-fluoro-3,4-dioxo-[1,2]thiazolo[5,4-b]quinolin-7-yl)octa-2,4,6-trien-2-yl]propanamide?
The canonical SMILES for 3-amino-N-[(2E,4E,6Z)-5-(9-cyclopropyl-6-fluoro-3,4-dioxo-[1,2]thiazolo[5,4-b]quinolin-7-yl)octa-2,4,6-trien-2-yl]propanamide is C/C=C\C(=C/C=C(\C)NC(=O)CCN)c1cc2c(cc1F)c(=O)c1c(=O)[nH]sc1n2C1CC1.
What is the InChIKey of 3-amino-N-[(2E,4E,6Z)-5-(9-cyclopropyl-6-fluoro-3,4-dioxo-[1,2]thiazolo[5,4-b]quinolin-7-yl)octa-2,4,6-trien-2-yl]propanamide?
The InChIKey is RQVPOLLXGGFPPP-RXYHCORFSA-N. The full InChI is InChI=1S/C24H25FN4O3S/c1-3-4-14(6-5-13(2)27-20(30)9-10-26)16-12-19-17(11-18(16)25)22(31)21-23(32)28-33-24(21)29(19)15-7-8-15/h3-6,11-12,15H,7-10,26H2,1-2H3,(H,27,30)(H,28,32)/b4-3-,13-5+,14-6+.
What are the key properties of 3-amino-N-[(2E,4E,6Z)-5-(9-cyclopropyl-6-fluoro-3,4-dioxo-[1,2]thiazolo[5,4-b]quinolin-7-yl)octa-2,4,6-trien-2-yl]propanamide?
3-amino-N-[(2E,4E,6Z)-5-(9-cyclopropyl-6-fluoro-3,4-dioxo-[1,2]thiazolo[5,4-b]quinolin-7-yl)octa-2,4,6-trien-2-yl]propanamide has a molecular weight of 468.55 g/mol, XLogP of 3.71, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2E,4E,6Z)-5-(9-cyclopropyl-6-fluoro-3,4-dioxo-[1,2]thiazolo[5,4-b]quinolin-7-yl)octa-2,4,6-trien-2-yl]propanamide is sourced from PubChem (CID 143007695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).