4-chloro-3,7-dimethyl-2-pyrrolidin-1-yl-1,8-naphthyridine

C14H16ClN3 — CID 1234306

IUPAC4-chloro-3,7-dimethyl-2-pyrrolidin-1-yl-1,8-naphthyridine
SMILESCc1ccc2c(Cl)c(C)c(N3CCCC3)nc2n1
InChIInChI=1S/C14H16ClN3/c1-9-5-6-11-12(15)10(2)14(17-13(11)16-9)18-7-3-4-8-18/h5-6H,3-4,7-8H2,1-2H3
InChIKeyMDXZPDHOQIAVNF-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.50
Rot. Bonds1

About 4-chloro-3,7-dimethyl-2-pyrrolidin-1-yl-1,8-naphthyridine

4-chloro-3,7-dimethyl-2-pyrrolidin-1-yl-1,8-naphthyridine (PubChem CID 1234306) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 4-chloro-3,7-dimethyl-2-pyrrolidin-1-yl-1,8-naphthyridine.

Molecular Properties

Compound Name4-chloro-3,7-dimethyl-2-pyrrolidin-1-yl-1,8-naphthyridine
PubChem CID1234306
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name4-chloro-3,7-dimethyl-2-pyrrolidin-1-yl-1,8-naphthyridine
SMILESCc1ccc2c(Cl)c(C)c(N3CCCC3)nc2n1
InChIInChI=1S/C14H16ClN3/c1-9-5-6-11-12(15)10(2)14(17-13(11)16-9)18-7-3-4-8-18/h5-6H,3-4,7-8H2,1-2H3
InChIKeyMDXZPDHOQIAVNF-UHFFFAOYSA-N
XLogP3.50
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,7-dimethyl-2-pyrrolidin-1-yl-1,8-naphthyridine?
The IUPAC name of 4-chloro-3,7-dimethyl-2-pyrrolidin-1-yl-1,8-naphthyridine (CID 1234306) is 4-chloro-3,7-dimethyl-2-pyrrolidin-1-yl-1,8-naphthyridine.
What is the SMILES notation for 4-chloro-3,7-dimethyl-2-pyrrolidin-1-yl-1,8-naphthyridine?
The canonical SMILES for 4-chloro-3,7-dimethyl-2-pyrrolidin-1-yl-1,8-naphthyridine is Cc1ccc2c(Cl)c(C)c(N3CCCC3)nc2n1.
What is the InChIKey of 4-chloro-3,7-dimethyl-2-pyrrolidin-1-yl-1,8-naphthyridine?
The InChIKey is MDXZPDHOQIAVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-9-5-6-11-12(15)10(2)14(17-13(11)16-9)18-7-3-4-8-18/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 4-chloro-3,7-dimethyl-2-pyrrolidin-1-yl-1,8-naphthyridine?
4-chloro-3,7-dimethyl-2-pyrrolidin-1-yl-1,8-naphthyridine has a molecular weight of 261.76 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,7-dimethyl-2-pyrrolidin-1-yl-1,8-naphthyridine is sourced from PubChem (CID 1234306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).