8-[1-[(6-chloro-2-morpholin-4-yl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one

C27H27ClN4O3 — CID 169270487

IUPAC8-[1-[(6-chloro-2-morpholin-4-yl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one
SMILESCc1cc(C(C)Nc2ccc(Cl)nc2N2CCOCC2)c2oc(-c3cccnc3)c(C)c(=O)c2c1
InChIInChI=1S/C27H27ClN4O3/c1-16-13-20(18(3)30-22-6-7-23(28)31-27(22)32-9-11-34-12-10-32)26-21(14-16)24(33)17(2)25(35-26)19-5-4-8-29-15-19/h4-8,13-15,18,30H,9-12H2,1-3H3
InChIKeyHZNGFFQPJMVYBQ-UHFFFAOYSA-N
MW490.99 g/mol
LogP5.53
Rot. Bonds5

About 8-[1-[(6-chloro-2-morpholin-4-yl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one

8-[1-[(6-chloro-2-morpholin-4-yl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one (PubChem CID 169270487) has the molecular formula C27H27ClN4O3 and a molecular weight of 490.99 g/mol. Its IUPAC name is 8-[1-[(6-chloro-2-morpholin-4-yl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one.

Molecular Properties

Compound Name8-[1-[(6-chloro-2-morpholin-4-yl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one
PubChem CID169270487
Molecular FormulaC27H27ClN4O3
Molecular Weight490.99 g/mol
Exact Mass490.18
IUPAC Name8-[1-[(6-chloro-2-morpholin-4-yl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one
SMILESCc1cc(C(C)Nc2ccc(Cl)nc2N2CCOCC2)c2oc(-c3cccnc3)c(C)c(=O)c2c1
InChIInChI=1S/C27H27ClN4O3/c1-16-13-20(18(3)30-22-6-7-23(28)31-27(22)32-9-11-34-12-10-32)26-21(14-16)24(33)17(2)25(35-26)19-5-4-8-29-15-19/h4-8,13-15,18,30H,9-12H2,1-3H3
InChIKeyHZNGFFQPJMVYBQ-UHFFFAOYSA-N
XLogP5.53
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.99
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 8-[1-[(6-chloro-2-morpholin-4-yl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one with MolForge

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Launch Full Analysis

Related Compounds

8-[(1R)-1-[[6-chloro-2-(1,3-oxazinan-3-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one
CID 169269139
8-[1-[[6-chloro-2-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one
CID 174206054
8-[(1R)-1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one
CID 169270702
6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethyl]amino]pyridine-2-carboxamide
CID 169269389
1-[3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethyl]amino]-6-methyl-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen
CID 169269850
3-[6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethyl]amino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 169270762
1-[6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-2-pyridinyl]azetidine-3-carbonitrile
CID 174170847
3,6-dimethyl-8-[(1R)-1-[(7-methyl-1H-indol-6-yl)amino]ethyl]-2-pyridin-3-ylchromen-4-one
CID 169269768
8-[1-[2-(hydroxymethyl)anilino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one
CID 174209844
8-[1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-2-(3-fluorophenyl)-3,6-dimethylchromen-4-one
CID 169269929
5-chloro-2-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethyl]amino]-N'-hydroxybenzenecarboximidamide
CID 169268904
7-[1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethylamino]-2,3-dihydroisoindol-1-one
CID 169270016

Frequently Asked Questions

What is the IUPAC name of 8-[1-[(6-chloro-2-morpholin-4-yl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one?
The IUPAC name of 8-[1-[(6-chloro-2-morpholin-4-yl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one (CID 169270487) is 8-[1-[(6-chloro-2-morpholin-4-yl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one.
What is the SMILES notation for 8-[1-[(6-chloro-2-morpholin-4-yl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one?
The canonical SMILES for 8-[1-[(6-chloro-2-morpholin-4-yl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one is Cc1cc(C(C)Nc2ccc(Cl)nc2N2CCOCC2)c2oc(-c3cccnc3)c(C)c(=O)c2c1.
What is the InChIKey of 8-[1-[(6-chloro-2-morpholin-4-yl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one?
The InChIKey is HZNGFFQPJMVYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN4O3/c1-16-13-20(18(3)30-22-6-7-23(28)31-27(22)32-9-11-34-12-10-32)26-21(14-16)24(33)17(2)25(35-26)19-5-4-8-29-15-19/h4-8,13-15,18,30H,9-12H2,1-3H3.
What are the key properties of 8-[1-[(6-chloro-2-morpholin-4-yl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one?
8-[1-[(6-chloro-2-morpholin-4-yl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one has a molecular weight of 490.99 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-[(6-chloro-2-morpholin-4-yl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one is sourced from PubChem (CID 169270487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).