cyclopropyl 6-[2-[(4-fluorobenzoyl)amino]propan-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate

C23H24FN3O3 — CID 152848446

IUPACcyclopropyl 6-[2-[(4-fluorobenzoyl)amino]propan-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate
SMILESCC(C)(NC(=O)c1ccc(F)cc1)c1ccc2c(n1)C1CC1CN2C(=O)OC1CC1
InChIInChI=1S/C23H24FN3O3/c1-23(2,26-21(28)13-3-5-15(24)6-4-13)19-10-9-18-20(25-19)17-11-14(17)12-27(18)22(29)30-16-7-8-16/h3-6,9-10,14,16-17H,7-8,11-12H2,1-2H3,(H,26,28)
InChIKeyTUSDOHOVQDRLAX-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.11
Rot. Bonds4

About cyclopropyl 6-[2-[(4-fluorobenzoyl)amino]propan-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate

cyclopropyl 6-[2-[(4-fluorobenzoyl)amino]propan-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate (PubChem CID 152848446) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is cyclopropyl 6-[2-[(4-fluorobenzoyl)amino]propan-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate.

Molecular Properties

Compound Namecyclopropyl 6-[2-[(4-fluorobenzoyl)amino]propan-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate
PubChem CID152848446
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Namecyclopropyl 6-[2-[(4-fluorobenzoyl)amino]propan-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate
SMILESCC(C)(NC(=O)c1ccc(F)cc1)c1ccc2c(n1)C1CC1CN2C(=O)OC1CC1
InChIInChI=1S/C23H24FN3O3/c1-23(2,26-21(28)13-3-5-15(24)6-4-13)19-10-9-18-20(25-19)17-11-14(17)12-27(18)22(29)30-16-7-8-16/h3-6,9-10,14,16-17H,7-8,11-12H2,1-2H3,(H,26,28)
InChIKeyTUSDOHOVQDRLAX-UHFFFAOYSA-N
XLogP4.11
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl 6-[2-[(4-fluorobenzoyl)amino]propan-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate?
The IUPAC name of cyclopropyl 6-[2-[(4-fluorobenzoyl)amino]propan-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate (CID 152848446) is cyclopropyl 6-[2-[(4-fluorobenzoyl)amino]propan-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate.
What is the SMILES notation for cyclopropyl 6-[2-[(4-fluorobenzoyl)amino]propan-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate?
The canonical SMILES for cyclopropyl 6-[2-[(4-fluorobenzoyl)amino]propan-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate is CC(C)(NC(=O)c1ccc(F)cc1)c1ccc2c(n1)C1CC1CN2C(=O)OC1CC1.
What is the InChIKey of cyclopropyl 6-[2-[(4-fluorobenzoyl)amino]propan-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate?
The InChIKey is TUSDOHOVQDRLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-23(2,26-21(28)13-3-5-15(24)6-4-13)19-10-9-18-20(25-19)17-11-14(17)12-27(18)22(29)30-16-7-8-16/h3-6,9-10,14,16-17H,7-8,11-12H2,1-2H3,(H,26,28).
What are the key properties of cyclopropyl 6-[2-[(4-fluorobenzoyl)amino]propan-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate?
cyclopropyl 6-[2-[(4-fluorobenzoyl)amino]propan-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate has a molecular weight of 409.46 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 6-[2-[(4-fluorobenzoyl)amino]propan-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate is sourced from PubChem (CID 152848446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).