3-methyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one

C27H27N3O3 — CID 70689971

IUPAC3-methyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one
SMILESCc1c(-c2ccc(-c3ccc(OCCN4CCOCC4)cc3)nc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C27H27N3O3/c1-19-26(29-25-5-3-2-4-23(25)27(19)31)21-8-11-24(28-18-21)20-6-9-22(10-7-20)33-17-14-30-12-15-32-16-13-30/h2-11,18H,12-17H2,1H3,(H,29,31)
InChIKeyCMDQHXAPIKAOMU-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.28
Rot. Bonds6

About 3-methyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one

3-methyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one (PubChem CID 70689971) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is 3-methyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one
PubChem CID70689971
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name3-methyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one
SMILESCc1c(-c2ccc(-c3ccc(OCCN4CCOCC4)cc3)nc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C27H27N3O3/c1-19-26(29-25-5-3-2-4-23(25)27(19)31)21-8-11-24(28-18-21)20-6-9-22(10-7-20)33-17-14-30-12-15-32-16-13-30/h2-11,18H,12-17H2,1H3,(H,29,31)
InChIKeyCMDQHXAPIKAOMU-UHFFFAOYSA-N
XLogP4.28
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one with MolForge

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Related Compounds

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CID 23635314
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CID 16755780
2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-N-(phenylmethyl)ethanamide
CID 155925939
7-Methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]quinolin-4-ol
CID 67617600
Aminopyridine N-oxide, 58
CID 24746456
6-Ethoxy-4-(3-morpholin-4-yl-propylamino)-quinoline-3-carboxylic acid ethyl ester
CID 16804582
2-[3-[(2,6-Dimethylphenoxy)methyl]-4-methoxyphenyl]-3-(3-pyridinylmethyl)-1,2-dihydroquinazolin-4-one
CID 50897816
N-(2,4-dimethyl-5-pyridin-2-ylphenyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 156019072
N-benzyl-2-[5-[4-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166635072
4-phenylmethoxy-N-quinolin-5-ylbenzamide
CID 1017989
2-(4-benzoylphenoxy)-N-pyridin-3-ylacetamide
CID 2534340

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one?
The IUPAC name of 3-methyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one (CID 70689971) is 3-methyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one.
What is the SMILES notation for 3-methyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one?
The canonical SMILES for 3-methyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one is Cc1c(-c2ccc(-c3ccc(OCCN4CCOCC4)cc3)nc2)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one?
The InChIKey is CMDQHXAPIKAOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-19-26(29-25-5-3-2-4-23(25)27(19)31)21-8-11-24(28-18-21)20-6-9-22(10-7-20)33-17-14-30-12-15-32-16-13-30/h2-11,18H,12-17H2,1H3,(H,29,31).
What are the key properties of 3-methyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one?
3-methyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one has a molecular weight of 441.53 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one is sourced from PubChem (CID 70689971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).