(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(oxolan-3-yl)methanone

C16H16BrN3O2 — CID 163351889

IUPAC(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCc2nc3ncc(Br)cc3cc2C1
InChIInChI=1S/C16H16BrN3O2/c17-13-6-11-5-12-8-20(16(21)10-2-4-22-9-10)3-1-14(12)19-15(11)18-7-13/h5-7,10H,1-4,8-9H2
InChIKeyPIPMMDPPPMSPOL-UHFFFAOYSA-N
MW362.23 g/mol
LogP2.31
Rot. Bonds1

About (3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(oxolan-3-yl)methanone

(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(oxolan-3-yl)methanone (PubChem CID 163351889) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is (3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(oxolan-3-yl)methanone
PubChem CID163351889
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC Name(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCc2nc3ncc(Br)cc3cc2C1
InChIInChI=1S/C16H16BrN3O2/c17-13-6-11-5-12-8-20(16(21)10-2-4-22-9-10)3-1-14(12)19-15(11)18-7-13/h5-7,10H,1-4,8-9H2
InChIKeyPIPMMDPPPMSPOL-UHFFFAOYSA-N
XLogP2.31
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(oxolan-3-yl)methanone?
The IUPAC name of (3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(oxolan-3-yl)methanone (CID 163351889) is (3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(oxolan-3-yl)methanone.
What is the SMILES notation for (3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(oxolan-3-yl)methanone?
The canonical SMILES for (3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(oxolan-3-yl)methanone is O=C(C1CCOC1)N1CCc2nc3ncc(Br)cc3cc2C1.
What is the InChIKey of (3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(oxolan-3-yl)methanone?
The InChIKey is PIPMMDPPPMSPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c17-13-6-11-5-12-8-20(16(21)10-2-4-22-9-10)3-1-14(12)19-15(11)18-7-13/h5-7,10H,1-4,8-9H2.
What are the key properties of (3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(oxolan-3-yl)methanone?
(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(oxolan-3-yl)methanone has a molecular weight of 362.23 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(oxolan-3-yl)methanone is sourced from PubChem (CID 163351889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).