7-chloro-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridin-5-amine

C12H12ClN3 — CID 10537618

IUPAC7-chloro-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridin-5-amine
SMILESNc1c2c(nc3ccc(Cl)cc13)CNCC2
InChIInChI=1S/C12H12ClN3/c13-7-1-2-10-9(5-7)12(14)8-3-4-15-6-11(8)16-10/h1-2,5,15H,3-4,6H2,(H2,14,16)
InChIKeyWEIUCSGXDZZZER-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.12
Rot. Bonds

About 7-chloro-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridin-5-amine

7-chloro-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridin-5-amine (PubChem CID 10537618) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 7-chloro-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridin-5-amine.

Molecular Properties

Compound Name7-chloro-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridin-5-amine
PubChem CID10537618
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name7-chloro-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridin-5-amine
SMILESNc1c2c(nc3ccc(Cl)cc13)CNCC2
InChIInChI=1S/C12H12ClN3/c13-7-1-2-10-9(5-7)12(14)8-3-4-15-6-11(8)16-10/h1-2,5,15H,3-4,6H2,(H2,14,16)
InChIKeyWEIUCSGXDZZZER-UHFFFAOYSA-N
XLogP2.12
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridin-5-amine?
The IUPAC name of 7-chloro-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridin-5-amine (CID 10537618) is 7-chloro-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridin-5-amine.
What is the SMILES notation for 7-chloro-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridin-5-amine?
The canonical SMILES for 7-chloro-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridin-5-amine is Nc1c2c(nc3ccc(Cl)cc13)CNCC2.
What is the InChIKey of 7-chloro-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridin-5-amine?
The InChIKey is WEIUCSGXDZZZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c13-7-1-2-10-9(5-7)12(14)8-3-4-15-6-11(8)16-10/h1-2,5,15H,3-4,6H2,(H2,14,16).
What are the key properties of 7-chloro-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridin-5-amine?
7-chloro-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridin-5-amine has a molecular weight of 233.70 g/mol, XLogP of 2.12, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridin-5-amine is sourced from PubChem (CID 10537618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).