1-[2-(2-aminoethyl)quinolin-6-yl]-4-phenylmethoxypyridin-2-one

C23H21N3O2 — CID 71080950

IUPAC1-[2-(2-aminoethyl)quinolin-6-yl]-4-phenylmethoxypyridin-2-one
SMILESNCCc1ccc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc2n1
InChIInChI=1S/C23H21N3O2/c24-12-10-19-7-6-18-14-20(8-9-22(18)25-19)26-13-11-21(15-23(26)27)28-16-17-4-2-1-3-5-17/h1-9,11,13-15H,10,12,16,24H2
InChIKeyBBTNOLVVVDNHNU-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.47
Rot. Bonds6

About 1-[2-(2-aminoethyl)quinolin-6-yl]-4-phenylmethoxypyridin-2-one

1-[2-(2-aminoethyl)quinolin-6-yl]-4-phenylmethoxypyridin-2-one (PubChem CID 71080950) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[2-(2-aminoethyl)quinolin-6-yl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[2-(2-aminoethyl)quinolin-6-yl]-4-phenylmethoxypyridin-2-one
PubChem CID71080950
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name1-[2-(2-aminoethyl)quinolin-6-yl]-4-phenylmethoxypyridin-2-one
SMILESNCCc1ccc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc2n1
InChIInChI=1S/C23H21N3O2/c24-12-10-19-7-6-18-14-20(8-9-22(18)25-19)26-13-11-21(15-23(26)27)28-16-17-4-2-1-3-5-17/h1-9,11,13-15H,10,12,16,24H2
InChIKeyBBTNOLVVVDNHNU-UHFFFAOYSA-N
XLogP3.47
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-hydroxyethyl)quinolin-6-yl]-4-phenylmethoxypyridin-2-one
CID 69080163
1-[2-[2-[amino(propyl)amino]ethyl]quinolin-6-yl]-4-phenylmethoxypyridin-2-one
CID 143424274
4-[(4-fluorophenyl)methoxy]-1-[2-(hydroxymethyl)quinolin-6-yl]pyridin-2-one
CID 69082097
1-(1-methylindazol-5-yl)-4-phenylmethoxypyridin-2-one
CID 143723289
1-(4-bromophenyl)-4-phenylmethoxypyridin-2-one
CID 59187025
1-(4-iodo-3-methylphenyl)-4-phenylmethoxypyridin-2-one
CID 143591111
1-[4-[2-(diethylamino)ethyl-methylamino]phenyl]-4-phenylmethoxypyridin-2-one
CID 53318595
4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(oxan-2-yloxymethyl)quinolin-6-yl]pyridin-2-one
CID 69079262
1-[1-(2-methoxypropyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one
CID 143723312
4-phenylmethoxy-1-[4-(propylamino)phenyl]pyridin-2-one
CID 24780169
1-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one
CID 24780171
1-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 24963342

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethyl)quinolin-6-yl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[2-(2-aminoethyl)quinolin-6-yl]-4-phenylmethoxypyridin-2-one (CID 71080950) is 1-[2-(2-aminoethyl)quinolin-6-yl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[2-(2-aminoethyl)quinolin-6-yl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[2-(2-aminoethyl)quinolin-6-yl]-4-phenylmethoxypyridin-2-one is NCCc1ccc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc2n1.
What is the InChIKey of 1-[2-(2-aminoethyl)quinolin-6-yl]-4-phenylmethoxypyridin-2-one?
The InChIKey is BBTNOLVVVDNHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c24-12-10-19-7-6-18-14-20(8-9-22(18)25-19)26-13-11-21(15-23(26)27)28-16-17-4-2-1-3-5-17/h1-9,11,13-15H,10,12,16,24H2.
What are the key properties of 1-[2-(2-aminoethyl)quinolin-6-yl]-4-phenylmethoxypyridin-2-one?
1-[2-(2-aminoethyl)quinolin-6-yl]-4-phenylmethoxypyridin-2-one has a molecular weight of 371.44 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethyl)quinolin-6-yl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 71080950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).