N-ethyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridin-4-amine

C18H23N3 — CID 79244947

IUPACN-ethyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridin-4-amine
SMILESCCNc1ccnc(CN2CCCc3cc(C)ccc32)c1
InChIInChI=1S/C18H23N3/c1-3-19-16-8-9-20-17(12-16)13-21-10-4-5-15-11-14(2)6-7-18(15)21/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,19,20)
InChIKeyOFUPQHFDGMGZJF-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.77
Rot. Bonds4

About N-ethyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridin-4-amine

N-ethyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridin-4-amine (PubChem CID 79244947) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-ethyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridin-4-amine
PubChem CID79244947
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-ethyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridin-4-amine
SMILESCCNc1ccnc(CN2CCCc3cc(C)ccc32)c1
InChIInChI=1S/C18H23N3/c1-3-19-16-8-9-20-17(12-16)13-21-10-4-5-15-11-14(2)6-7-18(15)21/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,19,20)
InChIKeyOFUPQHFDGMGZJF-UHFFFAOYSA-N
XLogP3.77
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridin-4-amine?
The IUPAC name of N-ethyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridin-4-amine (CID 79244947) is N-ethyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridin-4-amine.
What is the SMILES notation for N-ethyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridin-4-amine?
The canonical SMILES for N-ethyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridin-4-amine is CCNc1ccnc(CN2CCCc3cc(C)ccc32)c1.
What is the InChIKey of N-ethyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridin-4-amine?
The InChIKey is OFUPQHFDGMGZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-3-19-16-8-9-20-17(12-16)13-21-10-4-5-15-11-14(2)6-7-18(15)21/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,19,20).
What are the key properties of N-ethyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridin-4-amine?
N-ethyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridin-4-amine has a molecular weight of 281.40 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 79244947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).