[6-(6-amino-2-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone

C22H21N3O3 — CID 123967729

IUPAC[6-(6-amino-2-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone
SMILESCc1nc(N)ccc1-c1ccc2c(c1)CCCN2C(=O)c1ccc(O)cc1O
InChIInChI=1S/C22H21N3O3/c1-13-17(7-9-21(23)24-13)14-4-8-19-15(11-14)3-2-10-25(19)22(28)18-6-5-16(26)12-20(18)27/h4-9,11-12,26-27H,2-3,10H2,1H3,(H2,23,24)
InChIKeyCLVHFWBLNQXMII-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.64
Rot. Bonds2

About [6-(6-amino-2-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone

[6-(6-amino-2-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone (PubChem CID 123967729) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is [6-(6-amino-2-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name[6-(6-amino-2-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone
PubChem CID123967729
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name[6-(6-amino-2-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone
SMILESCc1nc(N)ccc1-c1ccc2c(c1)CCCN2C(=O)c1ccc(O)cc1O
InChIInChI=1S/C22H21N3O3/c1-13-17(7-9-21(23)24-13)14-4-8-19-15(11-14)3-2-10-25(19)22(28)18-6-5-16(26)12-20(18)27/h4-9,11-12,26-27H,2-3,10H2,1H3,(H2,23,24)
InChIKeyCLVHFWBLNQXMII-UHFFFAOYSA-N
XLogP3.64
TPSA99.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(6-amino-2-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone?
The IUPAC name of [6-(6-amino-2-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone (CID 123967729) is [6-(6-amino-2-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone.
What is the SMILES notation for [6-(6-amino-2-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone?
The canonical SMILES for [6-(6-amino-2-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone is Cc1nc(N)ccc1-c1ccc2c(c1)CCCN2C(=O)c1ccc(O)cc1O.
What is the InChIKey of [6-(6-amino-2-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone?
The InChIKey is CLVHFWBLNQXMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-13-17(7-9-21(23)24-13)14-4-8-19-15(11-14)3-2-10-25(19)22(28)18-6-5-16(26)12-20(18)27/h4-9,11-12,26-27H,2-3,10H2,1H3,(H2,23,24).
What are the key properties of [6-(6-amino-2-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone?
[6-(6-amino-2-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone has a molecular weight of 375.43 g/mol, XLogP of 3.64, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(6-amino-2-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone is sourced from PubChem (CID 123967729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).