4-[2-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]phenyl]-1H-pyridin-2-one

C30H26N2O3 — CID 169268865

IUPAC4-[2-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]phenyl]-1H-pyridin-2-one
SMILESCc1cc([C@@H](C)Nc2ccccc2-c2cc[nH]c(=O)c2)c2oc(-c3ccccc3)c(C)c(=O)c2c1
InChIInChI=1S/C30H26N2O3/c1-18-15-24(20(3)32-26-12-8-7-11-23(26)22-13-14-31-27(33)17-22)30-25(16-18)28(34)19(2)29(35-30)21-9-5-4-6-10-21/h4-17,20,32H,1-3H3,(H,31,33)/t20-/m1/s1
InChIKeyVCJROEYYXKPSSF-HXUWFJFHSA-N
MW462.55 g/mol
LogP6.61
Rot. Bonds5

About 4-[2-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]phenyl]-1H-pyridin-2-one

4-[2-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]phenyl]-1H-pyridin-2-one (PubChem CID 169268865) has the molecular formula C30H26N2O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 4-[2-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[2-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]phenyl]-1H-pyridin-2-one
PubChem CID169268865
Molecular FormulaC30H26N2O3
Molecular Weight462.55 g/mol
Exact Mass462.19
IUPAC Name4-[2-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]phenyl]-1H-pyridin-2-one
SMILESCc1cc([C@@H](C)Nc2ccccc2-c2cc[nH]c(=O)c2)c2oc(-c3ccccc3)c(C)c(=O)c2c1
InChIInChI=1S/C30H26N2O3/c1-18-15-24(20(3)32-26-12-8-7-11-23(26)22-13-14-31-27(33)17-22)30-25(16-18)28(34)19(2)29(35-30)21-9-5-4-6-10-21/h4-17,20,32H,1-3H3,(H,31,33)/t20-/m1/s1
InChIKeyVCJROEYYXKPSSF-HXUWFJFHSA-N
XLogP6.61
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]phenyl]-1H-pyridin-2-one with MolForge

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Related Compounds

4-[2-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]phenyl]-1-methylpyridin-2-one
CID 174202182
3,6-dimethyl-8-[(1R)-1-(2-methylanilino)ethyl]-2-phenylchromen-4-one
CID 169269773
8-[1-(2-bromoanilino)ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169269250
8-[1-[[2-(2-fluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 174203272
8-[1-[(2-fluoro-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169270678
3,6-dimethyl-2-phenyl-8-[1-[2-(2,2,2-trifluoro-1-hydroxyethyl)anilino]ethyl]chromen-4-one
CID 169269536
8-[(1R)-1-(2-dimethoxyphosphorylanilino)ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169270405
3,6-dimethyl-2-phenyl-8-[(1R)-1-[2-(2-trimethylsilylethynyl)anilino]ethyl]chromen-4-one
CID 169269046
4-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]-1-oxo-1,2-benzothiazol-3-one
CID 169269603
8-[(1R)-1-[[2-(difluoromethyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169269764
8-[(1R)-1-[[2-(2,6-difluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 174170867
3,6-dimethyl-2-phenyl-8-[(1R)-1-[[2-(2H-tetrazol-5-yl)-3-pyridinyl]amino]ethyl]chromen-4-one
CID 170415799

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]phenyl]-1H-pyridin-2-one?
The IUPAC name of 4-[2-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]phenyl]-1H-pyridin-2-one (CID 169268865) is 4-[2-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[2-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]phenyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[2-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]phenyl]-1H-pyridin-2-one is Cc1cc([C@@H](C)Nc2ccccc2-c2cc[nH]c(=O)c2)c2oc(-c3ccccc3)c(C)c(=O)c2c1.
What is the InChIKey of 4-[2-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]phenyl]-1H-pyridin-2-one?
The InChIKey is VCJROEYYXKPSSF-HXUWFJFHSA-N. The full InChI is InChI=1S/C30H26N2O3/c1-18-15-24(20(3)32-26-12-8-7-11-23(26)22-13-14-31-27(33)17-22)30-25(16-18)28(34)19(2)29(35-30)21-9-5-4-6-10-21/h4-17,20,32H,1-3H3,(H,31,33)/t20-/m1/s1.
What are the key properties of 4-[2-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]phenyl]-1H-pyridin-2-one?
4-[2-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]phenyl]-1H-pyridin-2-one has a molecular weight of 462.55 g/mol, XLogP of 6.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 169268865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).