4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine;hydrochloride

C22H27ClN4O — CID 23433971

IUPAC4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine;hydrochloride
SMILESCCOCC1CCCN1c1cc(C)nc2cc(Nc3cccnc3)ccc12.Cl
InChIInChI=1S/C22H26N4O.ClH/c1-3-27-15-19-7-5-11-26(19)22-12-16(2)24-21-13-17(8-9-20(21)22)25-18-6-4-10-23-14-18;/h4,6,8-10,12-14,19,25H,3,5,7,11,15H2,1-2H3;1H
InChIKeyHPQPAGJZEUPDCL-UHFFFAOYSA-N
MW398.94 g/mol
LogP5.11
Rot. Bonds6

About 4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine;hydrochloride

4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine;hydrochloride (PubChem CID 23433971) has the molecular formula C22H27ClN4O and a molecular weight of 398.94 g/mol. Its IUPAC name is 4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine;hydrochloride.

Molecular Properties

Compound Name4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine;hydrochloride
PubChem CID23433971
Molecular FormulaC22H27ClN4O
Molecular Weight398.94 g/mol
Exact Mass398.19
IUPAC Name4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine;hydrochloride
SMILESCCOCC1CCCN1c1cc(C)nc2cc(Nc3cccnc3)ccc12.Cl
InChIInChI=1S/C22H26N4O.ClH/c1-3-27-15-19-7-5-11-26(19)22-12-16(2)24-21-13-17(8-9-20(21)22)25-18-6-4-10-23-14-18;/h4,6,8-10,12-14,19,25H,3,5,7,11,15H2,1-2H3;1H
InChIKeyHPQPAGJZEUPDCL-UHFFFAOYSA-N
XLogP5.11
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.94
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine;hydrochloride?
The IUPAC name of 4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine;hydrochloride (CID 23433971) is 4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine;hydrochloride.
What is the SMILES notation for 4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine;hydrochloride?
The canonical SMILES for 4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine;hydrochloride is CCOCC1CCCN1c1cc(C)nc2cc(Nc3cccnc3)ccc12.Cl.
What is the InChIKey of 4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine;hydrochloride?
The InChIKey is HPQPAGJZEUPDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O.ClH/c1-3-27-15-19-7-5-11-26(19)22-12-16(2)24-21-13-17(8-9-20(21)22)25-18-6-4-10-23-14-18;/h4,6,8-10,12-14,19,25H,3,5,7,11,15H2,1-2H3;1H.
What are the key properties of 4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine;hydrochloride?
4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine;hydrochloride has a molecular weight of 398.94 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine;hydrochloride is sourced from PubChem (CID 23433971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).