4-amino-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-1,7-naphthyridin-2-one

C19H18N6O2 — CID 11948697

IUPAC4-amino-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-1,7-naphthyridin-2-one
SMILESNc1c(-c2nc3ccc(N4CCOCC4)cc3[nH]2)c(=O)[nH]c2cnccc12
InChIInChI=1S/C19H18N6O2/c20-17-12-3-4-21-10-15(12)24-19(26)16(17)18-22-13-2-1-11(9-14(13)23-18)25-5-7-27-8-6-25/h1-4,9-10H,5-8H2,(H,22,23)(H3,20,24,26)
InChIKeyUYTRUCYRZKTLND-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.89
Rot. Bonds2

About 4-amino-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-1,7-naphthyridin-2-one

4-amino-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-1,7-naphthyridin-2-one (PubChem CID 11948697) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-amino-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name4-amino-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-1,7-naphthyridin-2-one
PubChem CID11948697
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name4-amino-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-1,7-naphthyridin-2-one
SMILESNc1c(-c2nc3ccc(N4CCOCC4)cc3[nH]2)c(=O)[nH]c2cnccc12
InChIInChI=1S/C19H18N6O2/c20-17-12-3-4-21-10-15(12)24-19(26)16(17)18-22-13-2-1-11(9-14(13)23-18)25-5-7-27-8-6-25/h1-4,9-10H,5-8H2,(H,22,23)(H3,20,24,26)
InChIKeyUYTRUCYRZKTLND-UHFFFAOYSA-N
XLogP1.89
TPSA112.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-1,7-naphthyridin-2-one?
The IUPAC name of 4-amino-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-1,7-naphthyridin-2-one (CID 11948697) is 4-amino-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 4-amino-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 4-amino-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-1,7-naphthyridin-2-one is Nc1c(-c2nc3ccc(N4CCOCC4)cc3[nH]2)c(=O)[nH]c2cnccc12.
What is the InChIKey of 4-amino-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-1,7-naphthyridin-2-one?
The InChIKey is UYTRUCYRZKTLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c20-17-12-3-4-21-10-15(12)24-19(26)16(17)18-22-13-2-1-11(9-14(13)23-18)25-5-7-27-8-6-25/h1-4,9-10H,5-8H2,(H,22,23)(H3,20,24,26).
What are the key properties of 4-amino-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-1,7-naphthyridin-2-one?
4-amino-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-1,7-naphthyridin-2-one has a molecular weight of 362.39 g/mol, XLogP of 1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 11948697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).