7-chloro-6-[1-[[5-(2,6-dimethylmorpholine-4-carbonyl)pyrimidin-2-yl]amino]ethyl]-2,5-dimethyl-3H-quinazolin-4-one

C23H27ClN6O3 — CID 178098003

IUPAC7-chloro-6-[1-[[5-(2,6-dimethylmorpholine-4-carbonyl)pyrimidin-2-yl]amino]ethyl]-2,5-dimethyl-3H-quinazolin-4-one
SMILESCc1nc2cc(Cl)c(C(C)Nc3ncc(C(=O)N4CC(C)OC(C)C4)cn3)c(C)c2c(=O)[nH]1
InChIInChI=1S/C23H27ClN6O3/c1-11-9-30(10-12(2)33-11)22(32)16-7-25-23(26-8-16)27-14(4)19-13(3)20-18(6-17(19)24)28-15(5)29-21(20)31/h6-8,11-12,14H,9-10H2,1-5H3,(H,25,26,27)(H,28,29,31)
InChIKeyCZQZATSNZKHNQW-UHFFFAOYSA-N
MW470.96 g/mol
LogP3.41
Rot. Bonds4

About 7-chloro-6-[1-[[5-(2,6-dimethylmorpholine-4-carbonyl)pyrimidin-2-yl]amino]ethyl]-2,5-dimethyl-3H-quinazolin-4-one

7-chloro-6-[1-[[5-(2,6-dimethylmorpholine-4-carbonyl)pyrimidin-2-yl]amino]ethyl]-2,5-dimethyl-3H-quinazolin-4-one (PubChem CID 178098003) has the molecular formula C23H27ClN6O3 and a molecular weight of 470.96 g/mol. Its IUPAC name is 7-chloro-6-[1-[[5-(2,6-dimethylmorpholine-4-carbonyl)pyrimidin-2-yl]amino]ethyl]-2,5-dimethyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-6-[1-[[5-(2,6-dimethylmorpholine-4-carbonyl)pyrimidin-2-yl]amino]ethyl]-2,5-dimethyl-3H-quinazolin-4-one
PubChem CID178098003
Molecular FormulaC23H27ClN6O3
Molecular Weight470.96 g/mol
Exact Mass470.18
IUPAC Name7-chloro-6-[1-[[5-(2,6-dimethylmorpholine-4-carbonyl)pyrimidin-2-yl]amino]ethyl]-2,5-dimethyl-3H-quinazolin-4-one
SMILESCc1nc2cc(Cl)c(C(C)Nc3ncc(C(=O)N4CC(C)OC(C)C4)cn3)c(C)c2c(=O)[nH]1
InChIInChI=1S/C23H27ClN6O3/c1-11-9-30(10-12(2)33-11)22(32)16-7-25-23(26-8-16)27-14(4)19-13(3)20-18(6-17(19)24)28-15(5)29-21(20)31/h6-8,11-12,14H,9-10H2,1-5H3,(H,25,26,27)(H,28,29,31)
InChIKeyCZQZATSNZKHNQW-UHFFFAOYSA-N
XLogP3.41
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.96
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-chloro-6-[1-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenoxy]ethyl]-2-methyl-3H-pyrido[3,2-d]pyrimidin-4-one
CID 178098239
6-[1-[2-chloro-4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]anilino]ethyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097298
8-fluoro-6-[1-[[5-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]ethyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097597
6-[1-[4-(2,6-dimethylmorpholine-4-carbonyl)-2-fluoro-6-methoxyanilino]ethyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097079
6-[(1S)-1-[[3-fluoro-5-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-2-pyridinyl]amino]ethyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178098067
6-[(1R)-1-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-fluoroanilino]ethyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178098050
6-[1-[[5-(2,6-dimethylmorpholine-4-carbonyl)pyrazin-2-yl]amino]ethyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097601
5-(2,6-dimethylmorpholine-4-carbonyl)-2-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-6-yl]ethylamino]pyridine-3-carbonitrile
CID 178097209
6-[(1R)-1-[[5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-pyridinyl]oxy]-2,2,2-trifluoroethyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178098299
6-[[4-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenoxy]methyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097511
6-[(1S)-1-[2-cyclopropyl-4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]anilino]ethyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097155
6-[(1S)-1-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-fluorophenoxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097540

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-[1-[[5-(2,6-dimethylmorpholine-4-carbonyl)pyrimidin-2-yl]amino]ethyl]-2,5-dimethyl-3H-quinazolin-4-one?
The IUPAC name of 7-chloro-6-[1-[[5-(2,6-dimethylmorpholine-4-carbonyl)pyrimidin-2-yl]amino]ethyl]-2,5-dimethyl-3H-quinazolin-4-one (CID 178098003) is 7-chloro-6-[1-[[5-(2,6-dimethylmorpholine-4-carbonyl)pyrimidin-2-yl]amino]ethyl]-2,5-dimethyl-3H-quinazolin-4-one.
What is the SMILES notation for 7-chloro-6-[1-[[5-(2,6-dimethylmorpholine-4-carbonyl)pyrimidin-2-yl]amino]ethyl]-2,5-dimethyl-3H-quinazolin-4-one?
The canonical SMILES for 7-chloro-6-[1-[[5-(2,6-dimethylmorpholine-4-carbonyl)pyrimidin-2-yl]amino]ethyl]-2,5-dimethyl-3H-quinazolin-4-one is Cc1nc2cc(Cl)c(C(C)Nc3ncc(C(=O)N4CC(C)OC(C)C4)cn3)c(C)c2c(=O)[nH]1.
What is the InChIKey of 7-chloro-6-[1-[[5-(2,6-dimethylmorpholine-4-carbonyl)pyrimidin-2-yl]amino]ethyl]-2,5-dimethyl-3H-quinazolin-4-one?
The InChIKey is CZQZATSNZKHNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN6O3/c1-11-9-30(10-12(2)33-11)22(32)16-7-25-23(26-8-16)27-14(4)19-13(3)20-18(6-17(19)24)28-15(5)29-21(20)31/h6-8,11-12,14H,9-10H2,1-5H3,(H,25,26,27)(H,28,29,31).
What are the key properties of 7-chloro-6-[1-[[5-(2,6-dimethylmorpholine-4-carbonyl)pyrimidin-2-yl]amino]ethyl]-2,5-dimethyl-3H-quinazolin-4-one?
7-chloro-6-[1-[[5-(2,6-dimethylmorpholine-4-carbonyl)pyrimidin-2-yl]amino]ethyl]-2,5-dimethyl-3H-quinazolin-4-one has a molecular weight of 470.96 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-[1-[[5-(2,6-dimethylmorpholine-4-carbonyl)pyrimidin-2-yl]amino]ethyl]-2,5-dimethyl-3H-quinazolin-4-one is sourced from PubChem (CID 178098003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).