N-(5-chloro-1-benzofuran-7-yl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide

C27H25ClN4O4 — CID 46213295

IUPACN-(5-chloro-1-benzofuran-7-yl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide
SMILESO=C(CN1CCc2nc3ccccc3c(C(=O)N3CCOCC3)c2C1)Nc1cc(Cl)cc2ccoc12
InChIInChI=1S/C27H25ClN4O4/c28-18-13-17-6-10-36-26(17)23(14-18)30-24(33)16-31-7-5-22-20(15-31)25(19-3-1-2-4-21(19)29-22)27(34)32-8-11-35-12-9-32/h1-4,6,10,13-14H,5,7-9,11-12,15-16H2,(H,30,33)
InChIKeyUYKVILVPVGQPNM-UHFFFAOYSA-N
MW504.97 g/mol
LogP4.10
Rot. Bonds4

About N-(5-chloro-1-benzofuran-7-yl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide

N-(5-chloro-1-benzofuran-7-yl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide (PubChem CID 46213295) has the molecular formula C27H25ClN4O4 and a molecular weight of 504.97 g/mol. Its IUPAC name is N-(5-chloro-1-benzofuran-7-yl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-1-benzofuran-7-yl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide
PubChem CID46213295
Molecular FormulaC27H25ClN4O4
Molecular Weight504.97 g/mol
Exact Mass504.16
IUPAC NameN-(5-chloro-1-benzofuran-7-yl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide
SMILESO=C(CN1CCc2nc3ccccc3c(C(=O)N3CCOCC3)c2C1)Nc1cc(Cl)cc2ccoc12
InChIInChI=1S/C27H25ClN4O4/c28-18-13-17-6-10-36-26(17)23(14-18)30-24(33)16-31-7-5-22-20(15-31)25(19-3-1-2-4-21(19)29-22)27(34)32-8-11-35-12-9-32/h1-4,6,10,13-14H,5,7-9,11-12,15-16H2,(H,30,33)
InChIKeyUYKVILVPVGQPNM-UHFFFAOYSA-N
XLogP4.10
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.97
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1-benzofuran-7-yl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide?
The IUPAC name of N-(5-chloro-1-benzofuran-7-yl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide (CID 46213295) is N-(5-chloro-1-benzofuran-7-yl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide.
What is the SMILES notation for N-(5-chloro-1-benzofuran-7-yl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide?
The canonical SMILES for N-(5-chloro-1-benzofuran-7-yl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide is O=C(CN1CCc2nc3ccccc3c(C(=O)N3CCOCC3)c2C1)Nc1cc(Cl)cc2ccoc12.
What is the InChIKey of N-(5-chloro-1-benzofuran-7-yl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide?
The InChIKey is UYKVILVPVGQPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O4/c28-18-13-17-6-10-36-26(17)23(14-18)30-24(33)16-31-7-5-22-20(15-31)25(19-3-1-2-4-21(19)29-22)27(34)32-8-11-35-12-9-32/h1-4,6,10,13-14H,5,7-9,11-12,15-16H2,(H,30,33).
What are the key properties of N-(5-chloro-1-benzofuran-7-yl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide?
N-(5-chloro-1-benzofuran-7-yl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide has a molecular weight of 504.97 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1-benzofuran-7-yl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide is sourced from PubChem (CID 46213295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).