4-amino-12-cyclopropyl-15-oxo-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),8,10,13,16-pentaene-14-carboxylic acid

C19H20N4O3 — CID 77496405

IUPAC4-amino-12-cyclopropyl-15-oxo-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),8,10,13,16-pentaene-14-carboxylic acid
SMILESNC1CC2CC=Cc3c(ncc4c(=O)c(C(=O)O)cn(C5CC5)c34)N2C1
InChIInChI=1S/C19H20N4O3/c20-10-6-12-2-1-3-13-16-14(7-21-18(13)23(12)8-10)17(24)15(19(25)26)9-22(16)11-4-5-11/h1,3,7,9-12H,2,4-6,8,20H2,(H,25,26)
InChIKeyAKLIALIFDZRJBP-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.75
Rot. Bonds2

About 4-amino-12-cyclopropyl-15-oxo-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),8,10,13,16-pentaene-14-carboxylic acid

4-amino-12-cyclopropyl-15-oxo-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),8,10,13,16-pentaene-14-carboxylic acid (PubChem CID 77496405) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-amino-12-cyclopropyl-15-oxo-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),8,10,13,16-pentaene-14-carboxylic acid.

Molecular Properties

Compound Name4-amino-12-cyclopropyl-15-oxo-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),8,10,13,16-pentaene-14-carboxylic acid
PubChem CID77496405
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name4-amino-12-cyclopropyl-15-oxo-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),8,10,13,16-pentaene-14-carboxylic acid
SMILESNC1CC2CC=Cc3c(ncc4c(=O)c(C(=O)O)cn(C5CC5)c34)N2C1
InChIInChI=1S/C19H20N4O3/c20-10-6-12-2-1-3-13-16-14(7-21-18(13)23(12)8-10)17(24)15(19(25)26)9-22(16)11-4-5-11/h1,3,7,9-12H,2,4-6,8,20H2,(H,25,26)
InChIKeyAKLIALIFDZRJBP-UHFFFAOYSA-N
XLogP1.75
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-12-cyclopropyl-15-oxo-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),8,10,13,16-pentaene-14-carboxylic acid with MolForge

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Related Compounds

(4R,6S)-4-(aminomethyl)-12-cyclopropyl-18-fluoro-15-oxo-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),8,10,13,16-pentaene-14-carboxylic acid;2,2,2-trifluoroacetic acid
CID 66605652
ethyl (4R,6R)-12-cyclopropyl-18-fluoro-4-hydroxy-15-oxo-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),8,10,13,16-pentaene-14-carboxylate
CID 66600360
5-amino-12-cyclopropyl-15-oxo-8-oxa-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid
CID 75602987
(4R)-4-amino-12-cyclopropyl-18-fluoro-15-oxo-8-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid
CID 143890883
ethyl (4S)-4-(aminomethyl)-12-cyclopropyl-18-fluoro-15-oxo-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),8,10,13,16-pentaene-14-carboxylate
CID 66600430
7-[(3aR,4R,7aS)-4-amino-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-8-chloro-1-(2-fluorocyclopropyl)-4-oxo-1,6-naphthyridine-3-carboxylic acid
CID 70208136
7-[(3S)-3-amino-5-methylpiperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 134692782
7-(3-aminocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 67916341
(4R,6S)-4-amino-12-cyclopropyl-18-fluoro-15-oxo-8-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid;ethyl (4R,6S)-4-amino-12-cyclopropyl-18-fluoro-15-oxo-8-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate
CID 162207228
1-cyclopropyl-6,8-difluoro-7-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 15636877
bis(7-[(3S,5S)-3-amino-5-methylpiperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid);oxalic acid;hydrate
CID 46218332
8-cyano-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 19776635

Frequently Asked Questions

What is the IUPAC name of 4-amino-12-cyclopropyl-15-oxo-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),8,10,13,16-pentaene-14-carboxylic acid?
The IUPAC name of 4-amino-12-cyclopropyl-15-oxo-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),8,10,13,16-pentaene-14-carboxylic acid (CID 77496405) is 4-amino-12-cyclopropyl-15-oxo-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),8,10,13,16-pentaene-14-carboxylic acid.
What is the SMILES notation for 4-amino-12-cyclopropyl-15-oxo-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),8,10,13,16-pentaene-14-carboxylic acid?
The canonical SMILES for 4-amino-12-cyclopropyl-15-oxo-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),8,10,13,16-pentaene-14-carboxylic acid is NC1CC2CC=Cc3c(ncc4c(=O)c(C(=O)O)cn(C5CC5)c34)N2C1.
What is the InChIKey of 4-amino-12-cyclopropyl-15-oxo-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),8,10,13,16-pentaene-14-carboxylic acid?
The InChIKey is AKLIALIFDZRJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c20-10-6-12-2-1-3-13-16-14(7-21-18(13)23(12)8-10)17(24)15(19(25)26)9-22(16)11-4-5-11/h1,3,7,9-12H,2,4-6,8,20H2,(H,25,26).
What are the key properties of 4-amino-12-cyclopropyl-15-oxo-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),8,10,13,16-pentaene-14-carboxylic acid?
4-amino-12-cyclopropyl-15-oxo-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),8,10,13,16-pentaene-14-carboxylic acid has a molecular weight of 352.39 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-12-cyclopropyl-15-oxo-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),8,10,13,16-pentaene-14-carboxylic acid is sourced from PubChem (CID 77496405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).